SCHEMBL1970778

SCHEMBL1970778

CC(C)(C)OC(=O)Nc1cnc(Cl)cc1F

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.46
P2RX3 P56373 3/20 0.45
AAK1 Q2M2I8 2/20 0.43
ATR Q13535 1/20 0.42
GPR65 Q8IYL9 1/20 0.41
SYK P43405 1/20 0.40
S1PR3 Q99500 1/20 0.40
MAPKAPK2 P49137 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
METAP1 P53582 1/20 0.38
BRD4 O60885 1/20 0.37
TRPA1 O75762 1/20 0.37
KCNQ4 P56696 1/20 0.37
KCNQ5 Q9NR82 1/20 0.37

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
SCHEMBL29948300 1.00 CYP17A1 (0.46) CYP17A1P2RX3AAK1ATRGPR65
SCHEMBL7855434 0.90 GPR65 (0.40) CYP17A1P2RX3AAK1GPR65KCNQ3
SCHEMBL3344049 0.88 AAK1 (0.45) CYP17A1P2RX3AAK1ATRSYK
SCHEMBL16879643 0.85 ATR (0.44) P2RX3AAK1ATRMAPKAPK2METAP1
SCHEMBL29953353 0.84 ATR (0.41) CYP17A1P2RX3AAK1ATRS1PR3
SCHEMBL535514 0.84 ATR (0.43) P2RX3AAK1ATRMAPKAPK2METAP1
SCHEMBL1581324 0.82 ATR (0.42) CYP17A1P2RX3AAK1ATRMAPKAPK2
SCHEMBL29364468 0.82 ATR (0.42) CYP17A1P2RX3AAK1ATRMAPKAPK2
SCHEMBL12584018 0.82 MAPKAPK2 (0.43) P2RX3AAK1ATRMAPKAPK2METAP1
SCHEMBL18369794 0.82 ATR (0.42) CYP17A1P2RX3AAK1ATRMAPKAPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12459922-B2 PARP7 inhibitors GILEAD SCIENCES, INC. (US) 2025-11-04 US disclosed
CN-118591537-A PARP7 inhibitors 吉利德科学公司 2024-09-03 CN disclosed
US-11912686-B2 LPA receptor antagonists and uses thereof GILEAD SCIENCES, INC. (US) 2024-02-27 US disclosed
US-11912686-B2 LPA receptor antagonists and uses thereof GILEAD SCIENCES, INC. (US) 2024-02-27 US disclosed
US-20230365529-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. 2023-11-16 US disclosed
WO-2023147418-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. (US) 2023-08-03 WO disclosed
US-20230212151-A1 LPA RECEPTOR ANTAGONISTS AND USES THEREOF GILEAD SCIENCES, INC. 2023-07-06 US disclosed
US-20230212149-A1 TRIAZOLE CARBAMATE PYRIDYL SULFONAMIDES AS LPA RECEPTOR ANTAGONISTS AND USES THEREOF GILEAD SCIENCES, INC. 2023-07-06 US disclosed
US-20230212149-A1 TRIAZOLE CARBAMATE PYRIDYL SULFONAMIDES AS LPA RECEPTOR ANTAGONISTS AND USES THEREOF GILEAD SCIENCES, INC. 2023-07-06 US disclosed
US-20230212151-A1 LPA RECEPTOR ANTAGONISTS AND USES THEREOF GILEAD SCIENCES, INC. 2023-07-06 US disclosed
US-7902195-B2 Pyridine [3,4-b] pyrazinones PHARMACIA & UPJOHN COMPANY LLC (US) 2011-03-08 US disclosed
EP-2013208-A1 PYRIDIN[3,4-B]PYRAZINONES Pfizer Products Inc. (US) 2009-01-14 EP disclosed
WO-2007122466-A1 PYRIDINE[3,4-B]PYRAZINONES PFIZER PRODUCTS INC. (US) 2007-11-01 WO disclosed
WO-2007122466-A1 PYRIDINE[3,4-B]PYRAZINONES PFIZER PRODUCTS INC. (US) 2007-11-01 WO disclosed
US-20070249615-A1 Pyridine [3,4-b] Pyrazinones PFIZER INC 2007-10-25 US disclosed
US-20070249615-A1 Pyridine [3,4-b] Pyrazinones PFIZER INC 2007-10-25 US disclosed
US-20070249615-A1 Pyridine [3,4-b] Pyrazinones PFIZER INC 2007-10-25 US disclosed
WO-2006126082-A2 PYRIDINE [3,4-B] PYRAZINONES AS PDE-5 INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-11-30 WO disclosed
WO-2006126083-A1 PYRIDINE [3 , 4-B] PYRAZINONE COMPOUNDS AS PDE-5 INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-11-30 WO disclosed
WO-2006126083-A1 PYRIDINE [3 , 4-B] PYRAZINONE COMPOUNDS AS PDE-5 INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-11-30 WO 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 (6 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-20070249615-A1 Pyridine [3,4-b] Pyrazinones CYP2B6, CYP2D6, CYP4B1 CYP17A1 3056/4885P2RX3 188/4885AAK1 3712/4885
US-12459922-B2 PARP7 inhibitors PARP1, PARP11, PARP2 CYP17A1 1011/4885P2RX3 3008/4885AAK1 2312/4885
US-20230212149-A1 TRIAZOLE CARBAMATE PYRIDYL SULFONAMIDES AS LPA RECEPTOR ANTAGONISTS AND USES THEREOF LPAR3, LPAR1, LPAR2 CYP17A1 3342/4885P2RX3 439/4885AAK1 1366/4885
US-20230365529-A1 PARP7 INHIBITORS PARP1, PARP11, PARP2 CYP17A1 1011/4885P2RX3 3008/4885AAK1 2312/4885
US-20230212151-A1 LPA RECEPTOR ANTAGONISTS AND USES THEREOF LPAR1, LPAR2, LPAR4 CYP17A1 3036/4885P2RX3 1388/4885AAK1 721/4885
US-11912686-B2 LPA receptor antagonists and uses thereof LPAR1, LPAR2, LPAR4 CYP17A1 3036/4885P2RX3 1388/4885AAK1 721/4885

“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.