SCHEMBL1418830

SCHEMBL1418830

O=C1COCCN1c1c[c]ccc1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.43
PTGS2 P35354 13/20 0.42
PIK3CD O00329 4/20 0.39
PIK3CA P42336 2/20 0.38
PIK3CG P48736 2/20 0.38
PIK3CB P42338 1/20 0.38

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
SCHEMBL19751 0.80 F10 (0.50) F10PTGS2
SCHEMBL198132 0.80 PTGS2 (0.57) F10PTGS2
SCHEMBL28499191 0.78 ALDH1A1 (0.38)
SCHEMBL3602045 0.78 TNKS (0.39) F10PIK3CA
SCHEMBL1284684 0.76 ALDH1A1 (0.50)
SCHEMBL28505028 0.74 ALDH1A1 (0.45)
SCHEMBL29740650 0.73 PIK3CD (0.49) F10PTGS2PIK3CDPIK3CAPIK3CG
SCHEMBL20124865 0.73 PIK3CD (0.49) F10PTGS2PIK3CDPIK3CAPIK3CG
SCHEMBL159425 0.73 LMNA (0.59)
SCHEMBL2940366 0.72 MAP4K1 (0.50) F10PTGS2PIK3CDPIK3CAPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200109139-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2020-04-09 US disclosed
US-20180273531-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2018-09-27 US disclosed
US-20170029418-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2017-02-02 US disclosed
US-20150183812-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC (JP) 2015-07-02 US disclosed
US-8835443-B2 Pyrimidine compound and medical use thereof JAPAN TOBACCO INC. (JP) 2014-09-16 US disclosed
CN-101912400-B 5-amino-2,4,7-trioxo-3,4,7,8-tetrahydro-2h-pyrido[2,3-d] pyrimidine derivatives and related compounds for the treatment of cancer JAPAN TOBACCO INC 2013-06-26 CN disclosed
EP-2298768-B9 5-amino-2,4,7-trioxo-3,4,7,8-tetrahydro-2H-pyrido[2,3-d]pyrimidine derivatives and related compounds for the treatment of cancer JAPAN TOBACCO INC (JP) 2013-04-24 EP disclosed
EP-2298768-B1 5-amino-2,4,7-trioxo-3,4,7,8-tetrahydro-2H-pyrido[2,3-d]pyrimidine derivatives and related compounds for the treatment of cancer JAPAN TOBACCO INC (JP) 2012-11-14 EP disclosed
EP-2298768-A1 5-amino-2,4,7-trioxo-3,4,7,8-tetrahydro-2H-pyrido[2,3-d]pyrimidine derivatives and related compounds for the treatment of cancer Japan Tobacco, Inc. (JP) 2011-03-23 EP disclosed
CN-101912400-A The 5-amino-2,4 that is used for the treatment of cancer, 7-trioxy--3,4,7,8-tetrahydrochysene-2H-pyrido [2,3-d] pyrimidine derivatives and related compound JAPAN TOBACCO INC 2010-12-15 CN disclosed
EP-1761528-B1 5-AMINO-2,4,7-TRIOXO-3,4,7,8-TETRAHYDRO-2H-PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF CANCER JAPAN TOBACCO INC (JP) 2008-01-09 EP disclosed
CN-101006086-A 5-amino-2, 4, 7-trioxo-3, 4,7, 8-tetrahydro-2H-pyrido [2, 3-d ] pyrimidine derivatives and related compounds for the treatment of cancer JAPAN TOBACCO INC (JP) 2007-07-25 CN disclosed
EP-1791597-A2 CARBONYL COMPOUND-CONTAINING DRUG AND THE USE THEREOF Merck Patent GmbH (DE) 2007-06-06 EP disclosed
EP-1761528-A1 5-AMINO-2,4,7-TRIOXO-3,4,7,8-TETRAHYDRO-2H-PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF CANCER Japan Tobacco, Inc. (JP) 2007-03-14 EP disclosed
CN-1812981-A Heteroaryloxy nitrogenous saturated heterocyclic derivative BANYU PHARMA CO LTD (JP) 2006-08-02 CN disclosed
WO-2006032342-A2 CARBONYL COMPOUND-CONTAINING DRUG AND THE USE THEREOF MERCK PATENT GMBH (DE) 2006-03-30 WO disclosed
US-20060014768-A1 Antiproliferative, anticancer, antitumor agents; rheumatism; N-{3-[3-cyclopropyl-5-(2-fluoro-4-iodo-phenylamino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydro-2H-pyrido[4,3-d]pyrimidin-1-yl]-phenyl}-acetamide; a p15, and/or a protein inducing action, and/or an MEK inhibitory action; side effect reduction JAPAN TOBACCO INC. (JP) 2006-01-19 US disclosed
WO-2005121142-A1 5-AMINO-2,4,7-TRIOXO-3,4,7,8-TETRAHYDRO-2H-PYRIDO’2,3-D! PYRIMIDINE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF CANCER JAPAN TOBACCO INC. (JP) 2005-12-22 WO disclosed
EP-1411932-A1 SUBSTITUTED OXAZOLIDINONES FOR COMBINATIONAL THERAPY Bayer HealthCare AG (DE) 2004-04-28 EP disclosed
WO-2003000256-A1 SUBSTITUTED OXAZOLIDINONES FOR COMBINATIONAL THERAPY BAYER HEALTHCARE AG (DE) 2003-01-03 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 (5 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-20180273531-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF TYMP, TYMS, DPYD F10 3890/4885PTGS2 1711/4885PIK3CD 2780/4885
US-20170029418-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF TYMP, TYMS, DPYD F10 3890/4885PTGS2 1711/4885PIK3CD 2780/4885
US-20060014768-A1 Antiproliferative, anticancer, antitumor agents; rheumatism; N-{3-[3-cyclopropyl-5-(2-fluoro-4-iodo-phenylamino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydro-2H-pyrido[4,3-d]pyrimidin-1-yl]-phenyl}-acetamide; a p15, and/or a protein inducing action, and/or an MEK inhibitory action; side effect reduction CDKN1A, CDK2, CDC25A F10 4200/4885PTGS2 1291/4885PIK3CD 492/4885
US-20200109139-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF TYMP, TYMS, DPYD F10 3890/4885PTGS2 1711/4885PIK3CD 2780/4885
US-20150183812-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF TYMP, TYMS, DPYD F10 3890/4885PTGS2 1711/4885PIK3CD 2780/4885

“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.