SCHEMBL13596172

SCHEMBL13596172

COc1ccccc1NC(=O)C(C)C

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.62
LPAR1 Q92633 1/20 0.61
ALDH1A1 P00352 1/20 0.61
MDM4 O15151 1/20 0.61
TP53 P04637 1/20 0.61
MAPT P10636 3/20 0.58
TSHR P16473 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
CETP P11597 1/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
ANPEP P15144 1/20 0.57

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
SCHEMBL6348301 0.88 POLB (0.61) POLBLPAR1ALDH1A1MAPTTSHR
SCHEMBL536527 0.86 POLB (0.59) POLBLPAR1ALDH1A1MAPTTSHR
SCHEMBL18638271 0.86 POLB (0.59) POLBLPAR1ALDH1A1MAPTTSHR
SCHEMBL4554983 0.85 POLB (0.77) POLBLPAR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL31040567 0.85 POLB (0.77) POLBLPAR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL8930775 0.85 POLB (0.58) POLBLPAR1ALDH1A1MAPTTSHR
SCHEMBL13255726 0.85 POLB (0.62) POLBLPAR1ALDH1A1MAPTTSHR
Hydrochloric Acid SCHEMBL8974944 0.85 ALDH1A1 (0.60) POLBLPAR1ALDH1A1MAPTTSHR
SCHEMBL12125175 0.83 KMT2A (0.76) POLBLPAR1ALDH1A1MAPTTSHR
SCHEMBL27992024 0.83 ALDH1A1 (0.59) POLBLPAR1ALDH1A1MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230033285-A1 Protease Inhibitors for Treatment of Coronavirus Infections THE SCRIPPS RESEARCH INSTITUTE 2023-02-02 US disclosed
US-20220411426-A1 SUBSTRATE SELECTIVE INHIBITORS OF INSULIN-DEGRADING ENZYME (IDE) AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2022-12-29 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
EP-3838903-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AS JANUS KINASE INHIBITOR Incyte Holdings Corporation (US) 2021-06-23 EP disclosed
US-11040976-B2 Substrate selective inhibitors of insulin-degrading enzyme (IDE) and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-06-22 US disclosed
US-20210161869-A1 ARYL DIHYDROPYRIDINONES AND PIPERIDINONE MGAT2 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
EP-3466953-B1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AS JANUS KINASE INHIBITOR INCYTE HOLDINGS CORP (US) 2021-02-03 EP 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
US-10695328-B2 Aryl dihydropyridinones and piperidinone MGAT2 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-06-30 US disclosed
US-10639310-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2020-05-05 US disclosed
US-20130143843-A1 ARYL DIHYDROPYRIDINONE AND PIPERIDINONE MGAT2 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2013-06-06 US disclosed
US-8415362-B2 Pyrazolyl substituted pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2013-04-09 US disclosed
US-7638526-B2 Azetidine derivatives useful in treating pain, diabetes and disorders of lipid metabolism SCHERING CORPORATION (US) 2009-12-29 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-20080249081-A1 COMPOUNDS FOR THE TREATMENT OF PAIN AND SCREENING METHODS THEREFOR ACADIA PHARMACEUTICALS INC. 2008-10-09 US disclosed
US-20080249081-A1 COMPOUNDS FOR THE TREATMENT OF PAIN AND SCREENING METHODS THEREFOR ACADIA PHARMACEUTICALS INC. 2008-10-09 US disclosed
US-7342016-B2 Farnesyl protein transferase inhibitors as antitumor agents SCHERING CORPORATION (US) 2008-03-11 US 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 (13 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-10639310-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 POLB 430/4885LPAR1 3579/4885ALDH1A1 3413/4885
US-20200338077-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 POLB 430/4885LPAR1 3579/4885ALDH1A1 3413/4885
US-20130143843-A1 ARYL DIHYDROPYRIDINONE AND PIPERIDINONE MGAT2 INHIBITORS DGAT2, MGAT2, MGAT1 POLB 3424/4885LPAR1 709/4885ALDH1A1 288/4885
US-20220411426-A1 SUBSTRATE SELECTIVE INHIBITORS OF INSULIN-DEGRADING ENZYME (IDE) AND USES THEREOF IDE, SI, GPR119 POLB 1453/4885LPAR1 4459/4885ALDH1A1 1111/4885
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 POLB 1025/4885LPAR1 2703/4885ALDH1A1 2035/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 POLB 1939/4885LPAR1 1570/4885ALDH1A1 1079/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 POLB 430/4885LPAR1 3579/4885ALDH1A1 3413/4885
US-11040976-B2 Substrate selective inhibitors of insulin-degrading enzyme (IDE) and uses thereof IDE, SI, GPR119 POLB 1591/4885LPAR1 4465/4885ALDH1A1 1194/4885
US-20080249081-A1 COMPOUNDS FOR THE TREATMENT OF PAIN AND SCREENING METHODS THEREFOR MRGPRX2, MRGPRX4, MRGPRX1 POLB 4342/4885LPAR1 552/4885ALDH1A1 2124/4885
US-20210161869-A1 ARYL DIHYDROPYRIDINONES AND PIPERIDINONE MGAT2 INHIBITORS DGAT2, MGAT2, MGAT1 POLB 3400/4885LPAR1 730/4885ALDH1A1 284/4885
US-20230033285-A1 Protease Inhibitors for Treatment of Coronavirus Infections ACE, ACE2, TMPRSS2 POLB 848/4885LPAR1 2400/4885ALDH1A1 3177/4885
US-10695328-B2 Aryl dihydropyridinones and piperidinone MGAT2 inhibitors DGAT2, MGAT2, MGAT1 POLB 3400/4885LPAR1 730/4885ALDH1A1 284/4885
US-11331320-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 POLB 430/4885LPAR1 3579/4885ALDH1A1 3413/4885

“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.