SCHEMBL1996121

SCHEMBL1996121

NC(=O)c1nn(-c2cccc(Cl)c2)c2c1CCN(c1ccc(-n3ccccc3=O)cc1)C2=O

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.49
CDK2 P24941 1/20 0.49
CCNA1 P78396 1/20 0.49
F10 P00742 18/20 0.49
F2 P00734 3/20 0.49
SLC29A1 Q99808 1/20 0.49
GAA P10253 1/20 0.48

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
SCHEMBL3885017 0.90 F10 (0.56) F10F2SLC29A1
SCHEMBL3879293 0.90 CCNA2 (0.56) CCNA2CDK2CCNA1F10F2
SCHEMBL15628280 0.87 CCNA2 (0.47) CCNA2CDK2CCNA1F10F2
SCHEMBL3872417 0.86 CCNA2 (0.52) CCNA2CDK2CCNA1F10F2
SCHEMBL1997488 0.86 ALDH1A1 (0.51) F10F2
SCHEMBL14350836 0.85 PDE4A (0.49) F10F2
SCHEMBL3873568 0.84 F10 (0.69) F10F2SLC29A1
SCHEMBL1996263 0.84 F10 (0.69) CCNA2CDK2CCNA1F10F2
SCHEMBL16179033 0.84 F10 (0.47) F10F2SLC29A1
SCHEMBL2003465 0.83 F10 (0.45) F10F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110894196-A Lactam-containing compounds and derivatives thereof as factor Xa inhibitors 百时美-施贵宝控股爱尔兰无限公司 2020-03-20 CN claimed
US-20170291896-A1 PYRAZOLO[3,4-C]PYRIDINE DERIVATIVES CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2017-10-12 US claimed
EP-3190111-A1 PYRAZOLO[3,4-C]PYRIDINE DERIVATIVES CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd. (CN) 2017-07-12 EP claimed
EP-2105436-A1 Lactam-containing compounds and derivatives thereof as factor XA inhibitors Bristol-Myers Squibb Company (US) 2009-09-30 EP claimed
US-7388096-B2 Crystalline forms of a factor Xa inhibitor BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-17 US claimed
US-7371761-B2 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-13 US claimed
EP-1819703-A1 CRYTALLINE FORMS OF A PYRAZOLO `3, 4-C Ü PYRIDINE FACTOR XA INHIBITOR Brystol-Myers Squibb Company (US) 2007-08-22 EP claimed
US-20070135426-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US claimed
WO-2006036927-A1 CRYTALLINE FORMS OF A PYRAZOLO `3, 4-C ! PYRIDINE FACTOR XA INHIBITOR BRISTOL-MYERS SQUIBB COMPANY (US) 2006-04-06 WO claimed
US-20060069118-A1 Crystalline forms of a factor Xa inhibitor BRISTOL-MYERS SQUIBB COMPANY 2006-03-30 US claimed
US-7005435-B2 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-02-28 US claimed
US-20050267097-A1 blood coagulation factor (trypsin-like serine protease enzymes) inhibitor; 3-(4-methoxy-phenyl)-5-[4-(2-oxo-2H-pyridin-1-yl)-phenyl]-3,5,6,7-tetrahydro-[1,2,3]triazolo4,5-c]pyridin-4-one; anticoagulant; cardiovascular thromboembolic disorder transient ischemic attack, stroke, atherosclerosis BRISTOL-MYERS SQUIBB COMPANY 2005-12-01 US claimed
US-20050261287-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-11-24 US claimed
US-6967208-B2 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-11-22 US claimed
US-20050124602-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-06-09 US claimed
US-20040220174-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-11-04 US claimed
US-20030191115-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-10-09 US claimed
US-20200140436-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-05-07 US disclosed
US-20040220174-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-11-04 US disclosed
US-20030191115-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-10-09 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 (9 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-20170291896-A1 PYRAZOLO[3,4-C]PYRIDINE DERIVATIVES F11, TFPI, F2 CCNA2 4397/4885CDK2 1139/4885CCNA1 3280/4885
US-20060069118-A1 Crystalline forms of a factor Xa inhibitor F12, SERPINC1, F2 CCNA2 2391/4885CDK2 533/4885CCNA1 1790/4885
US-20050261287-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors F12, F2, CPB1 CCNA2 1316/4885CDK2 857/4885CCNA1 946/4885
US-20040220174-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors PEPD, PRSS1, CPB1 CCNA2 2811/4885CDK2 1542/4885CCNA1 2471/4885
US-20050124602-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors F12, F2, CPB1 CCNA2 1313/4885CDK2 801/4885CCNA1 997/4885
US-20050267097-A1 blood coagulation factor (trypsin-like serine protease enzymes) inhibitor; 3-(4-methoxy-phenyl)-5-[4-(2-oxo-2H-pyridin-1-yl)-phenyl]-3,5,6,7-tetrahydro-[1,2,3]triazolo4,5-c]pyridin-4-one; anticoagulant; cardiovascular thromboembolic disorder transient ischemic attack, stroke, atherosclerosis PLAT, F2, TFPI CCNA2 1067/4885CDK2 261/4885CCNA1 476/4885
US-20200140436-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 CCNA2 1313/4885CDK2 801/4885CCNA1 997/4885
US-20030191115-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors PEPD, HABP2, CPB1 CCNA2 3625/4885CDK2 2359/4885CCNA1 2128/4885
US-20070135426-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 CCNA2 1313/4885CDK2 801/4885CCNA1 997/4885

“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.