SCHEMBL99072

SCHEMBL99072

CCS(=O)(=O)c1cccc(Br)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 2/20 0.56
ATM Q13315 1/20 0.46
HSD17B2 P37059 1/20 0.43
EDNRB P24530 2/20 0.42
EDNRA P25101 2/20 0.42
MMP2 P08253 2/20 0.42
BRD4 O60885 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
GAA P10253 2/20 0.41
PGR P06401 1/20 0.41
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
KAT6A Q92794 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL263686 0.86 ATM (0.46) PSIP1ATMHSD17B2EDNRBEDNRA
SCHEMBL4251866 0.85 PLCG1 (0.56) ATMHSD17B2EDNRBEDNRAMMP2
SCHEMBL17263850 0.84 PSIP1 (0.68) PSIP1BRD4ALDH1A1GAAMEN1
SCHEMBL1710715 0.83 ATM (0.41) PSIP1ATMHSD17B2EDNRBEDNRA
SCHEMBL29068356 0.82 PLCG1 (0.44) ATMHSD17B2EDNRBEDNRAMMP2
SCHEMBL6726327 0.82 ATM (0.45) ATMHSD17B2EDNRBEDNRAMMP2
SCHEMBL3600024 0.82 ATM (0.49) ATMHSD17B2EDNRBEDNRAMMP2
SCHEMBL17364184 0.82 ATM (0.45) ATMHSD17B2MMP2BRD4ALDH1A1
SCHEMBL30633557 0.80 POLB (0.49) ATMHSD17B2BRD4ALDH1A1EGFR
SCHEMBL17699828 0.79 ATM (0.43) ATMHSD17B2EDNRBEDNRAMMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3838903-B1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AS JANUS KINASE INHIBITOR INCYTE HOLDINGS CORP (US) 2023-11-22 EP disclosed
EP-3774775-B1 4-OXO-3,4-DIHYDROQUINAZOLINE COMPOUNDS AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK NO 5 LTD (GB) 2023-10-11 EP 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
CN-110799490-B 3-arylpropionamide compound and method for producing 3-arylpropionate compound 住友化学株式会社 2023-05-02 CN 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-11505543-B2 4-oxo-3,4-dihydroquinazoline compounds as inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2022-11-22 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-11028056-B2 Method for producing 3-arylpropionamide compound and 3-arylpropionic acid ester compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-06-08 US disclosed
EP-3774775-A1 4-OXO-3,4-DIHYDROQUINAZOLINE COMPOUNDS AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2021-02-17 EP 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
WO-2009086130-A1 IMIDAZO [1,2-B] PYRIDAZINE COMPOUNDS AS MODULATORS OF LIVER X RECEPTORS WYETH (US) 2009-07-09 WO disclosed
WO-2009086138-A1 BENZIMIDAZOLE COMPOUNDS WYETH (US) 2009-07-09 WO disclosed
WO-2009086129-A1 PYRAZOLO [1,5-A] PYRIMIDINE COMPOUNDS WYETH (US) 2009-07-09 WO disclosed
WO-2009086123-A1 IMIDAZO [1,2-A] PYRIDINE COMPOUNDS WYETH (US) 2009-07-09 WO disclosed
CN-101448826-A Heteroaryl substituted pyrrolo [2 ] as janus kinase inhibitors INCYTE CORP (US) 2009-06-03 CN disclosed
WO-2009020683-A2 QUINAZOLINE COMPOUNDS WYETH (US) 2009-02-12 WO disclosed
EP-1966202-A1 HETEROARYL SUBSTITUTED PYRROLOÝ2,3-B¨PYRIDINES AND PYRROLOÝ2,3-B¨PYRIMIDINES AS JANUS KINASE INHIBITORS Incyte Corporation (US) 2008-09-10 EP 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

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

For each of this compound's patents that has machine-readable text (7 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-20220395506-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 PSIP1 3289/4885ATM 1090/4885HSD17B2 3129/4885
US-11505543-B2 4-oxo-3,4-dihydroquinazoline compounds as inhibitors of human immunodeficiency virus replication EIF2AK2, CCNI, IRF3 PSIP1 1368/4885ATM 3277/4885HSD17B2 2080/4885
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 PSIP1 3027/4885ATM 1045/4885HSD17B2 2701/4885
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 PSIP1 3289/4885ATM 1090/4885HSD17B2 3129/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 PSIP1 3289/4885ATM 1090/4885HSD17B2 3129/4885
US-11028056-B2 Method for producing 3-arylpropionamide compound and 3-arylpropionic acid ester compound AADAC, DDT, NAT1 PSIP1 3276/4885ATM 579/4885HSD17B2 4225/4885
US-11331320-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 PSIP1 3289/4885ATM 1090/4885HSD17B2 3129/4885

“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.