SCHEMBL171696

SCHEMBL171696

CC(C)C(=O)Nc1cccc2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.62
GAA P10253 2/20 0.62
MDM4 O15151 1/20 0.61
TP53 P04637 1/20 0.61
MAPT P10636 3/20 0.60
RAB9A P51151 4/20 0.58
EPHX1 P07099 1/20 0.58
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2C19 P33261 2/20 0.57
NPC1 O15118 2/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
ANPEP P15144 1/20 0.57
CETP P11597 1/20 0.57
LMNA P02545 1/20 0.56
POLB P06746 2/20 0.55
ALDH1A1 P00352 2/20 0.55
GSK3B P49841 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11737069 0.89 MDM4 (0.63) KDM4EGAAMDM4TP53MAPT
SCHEMBL3250896 0.86 IDO1 (0.65) KDM4EGAAMAPTRAB9AEPHX1
SCHEMBL9850400 0.86 KDM4E (0.59) KDM4EGAAMAPTRAB9AEPHX1
SCHEMBL18602340 0.86 KDM4E (0.59) KDM4EGAAMAPTRAB9AEPHX1
SCHEMBL19549091 0.86 IDO1 (0.65) KDM4EGAAMAPTRAB9AEPHX1
SCHEMBL12251338 0.86 KDM4E (0.59) KDM4EGAAMAPTRAB9AEPHX1
SCHEMBL18952821 0.86 KDM4E (0.59) KDM4EGAAMAPTRAB9AEPHX1
SCHEMBL21974647 0.85 RAB9A (0.57) KDM4EGAAMAPTRAB9AEPHX1
SCHEMBL171258 0.83 EPHX1 (0.60) KDM4EGAAMAPTRAB9AEPHX1
SCHEMBL12310942 0.83 KDM4E (0.60) KDM4EGAAMAPTRAB9AEPHX1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230381159-A1 SMALL MOLECULE INHIBITORS OF CORONAVIRUS ATTACHMENT AND ENTRY, METHODS AND USES THEREOF UNIVERSITY OF MIAMI 2023-11-30 US disclosed
US-20230381159-A1 SMALL MOLECULE INHIBITORS OF CORONAVIRUS ATTACHMENT AND ENTRY, METHODS AND USES THEREOF UNIVERSITY OF MIAMI 2023-11-30 US disclosed
US-20230339910-A1 RAS INHIBITORS AND METHODS OF USING THE SAME JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2023-10-26 US disclosed
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2023-09-05 US disclosed
US-11597727-B2 Inhibitors of integrin alpha 2 beta 1 and methods of use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-03-07 US disclosed
US-20220395506-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2022-12-15 US disclosed
US-11331320-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2022-05-17 US disclosed
US-20210387986-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-12-16 US disclosed
US-10889556-B2 Compositions and methods for inhibiting influenza RNA polymerase PA endonuclease THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-01-12 US disclosed
US-20200338077-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2020-10-29 US disclosed
EP-2343299-A1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors Incyte Corporation (US) 2011-07-13 EP disclosed
EP-2343298-A1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors Incyte Corporation (US) 2011-07-13 EP disclosed
US-20110028509-A1 Sulfonamides MERCK SERONO SA (CH) 2011-02-03 US disclosed
US-20100022522-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS Incyte Corporationn, a Delaware corporation 2010-01-28 US disclosed
US-7598257-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as janus kinase inhibitors INCYTE CORPORATION (US) 2009-10-06 US disclosed
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-07-16 US disclosed
US-20080286233-A1 PIPERIZINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-11-20 US disclosed
WO-2007070514-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-B]PYRIDINES AND PYRROLO[2,3-B]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2007-06-21 WO disclosed
US-20070135461-A1 3-Cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile; immune-related diseases, skin disorders, myeloid proliferative disorders, cancer INCYTE CORPORATION 2007-06-14 US disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (15 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200338077-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 KDM4E 528/4885GAA 4364/4885MDM4 925/4885
US-11597727-B2 Inhibitors of integrin alpha 2 beta 1 and methods of use ITGB1, ITGB2, ITGA2 KDM4E 4154/4885GAA 1625/4885MDM4 4520/4885
US-20210387986-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE ITGB1, ITGB2, ITGA2 KDM4E 4154/4885GAA 1625/4885MDM4 4520/4885
US-20220395506-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 KDM4E 528/4885GAA 4364/4885MDM4 925/4885
US-20230381159-A1 SMALL MOLECULE INHIBITORS OF CORONAVIRUS ATTACHMENT AND ENTRY, METHODS AND USES THEREOF ACE2, ACE, SARS1 KDM4E 3581/4885GAA 1805/4885MDM4 3610/4885
US-20070135461-A1 3-Cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile; immune-related diseases, skin disorders, myeloid proliferative disorders, cancer JAK1, JAK3, MAP3K4 KDM4E 358/4885GAA 4524/4885MDM4 744/4885
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 KDM4E 528/4885GAA 4364/4885MDM4 925/4885
US-20230339910-A1 RAS INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS KDM4E 3677/4885GAA 1345/4885MDM4 347/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 KDM4E 2562/4885GAA 4203/4885MDM4 2619/4885
US-20100022522-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 KDM4E 528/4885GAA 4364/4885MDM4 925/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 KDM4E 528/4885GAA 4364/4885MDM4 925/4885
US-11331320-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 KDM4E 528/4885GAA 4364/4885MDM4 925/4885
US-20080286233-A1 PIPERIZINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, HPN, PREP KDM4E 1023/4885GAA 1148/4885MDM4 2832/4885
US-10889556-B2 Compositions and methods for inhibiting influenza RNA polymerase PA endonuclease POLRMT, RNASE1, POLM KDM4E 3340/4885GAA 189/4885MDM4 1783/4885
US-20110028509-A1 Sulfonamides CXCR3, CXCR2, CXCR1 KDM4E 2640/4885GAA 3909/4885MDM4 3549/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.