SCHEMBL951278

SCHEMBL951278

Nc1ncc2c(n1)CCNC2=O

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 15/20 0.50
CCNA2 P20248 1/20 0.50
CDK2 P24941 1/20 0.50
CDK9 P50750 1/20 0.50
PLK1 P53350 1/20 0.50
CCNA1 P78396 1/20 0.50
PARP16 Q8N5Y8 1/20 0.45
PARP3 Q9Y6F1 1/20 0.45
ALDH1A1 P00352 1/20 0.44
PDE4B Q07343 1/20 0.42

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
SCHEMBL20779670 0.79 GRM5 (0.38) CDC7CCNA2CDK2CDK9PLK1
SCHEMBL21633640 0.79 PARP10 (0.40)
SCHEMBL3042595 0.76 CSNK1A1 (0.43) PDE4B
SCHEMBL15880368 0.76 CCNA2 (0.39) CCNA2CDK2
SCHEMBL2471711 0.76 GRM5 (0.38) CDC7
SCHEMBL23314219 0.76 MAP4K1 (0.38)
SCHEMBL22048859 0.76 HTR1A (0.36) CDC7CCNA2CDK2CDK9PLK1
SCHEMBL23649631 0.74 GRM5 (0.46) CDC7CCNA2CDK2CDK9PLK1
SCHEMBL23119368 0.73 OGA (0.38) CDC7
SCHEMBL5863676 0.72 CDC7 (0.40) CDC7CCNA2CDK2CDK9PLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170049781-A1 HSP90 INHIBITOR COMBINATIONS NOVARTIS AG (CH) 2017-02-23 US disclosed
EP-2370076-B1 Pharmaceutical combination comprising a Hsp 90 inhibitor and a mTOR inhibitor NOVARTIS AG (CH) 2017-01-04 EP disclosed
US-20160346292-A1 PHARMACEUTICAL COMBINATIONS COMPRISING A PYRIDO [4,3-D] PYRIMIDINE DERIVED HSP90-INHIBITOR AND A HER2 INHIBITOR NOVARTIS AG (CH) 2016-12-01 US disclosed
US-20150209362-A1 PHARMACEUTICAL COMBINATIONS COMPRISING A PYRIDO [4,3-D] PYRIMIDINE DERIVED HSP90-INHIBITOR AND A HER2 INHIBITOR NOVARTIS AG (CH) 2015-07-30 US disclosed
US-20140328834-A1 PHARMACEUTICAL COMBINATIONS COMPRISING A PYRIDO [4,3-D] PYRIMIDINE DERIVED HSP90-INHIBITOR AND A HER2 INHIBITOR NOVARTIS AG (CH) 2014-11-06 US disclosed
US-20140242088-A1 Hsp90 inhibitor combinations NOVARTIS AG (CH) 2014-08-28 US disclosed
EP-2252595-B1 OXIM DERIVATIVES AS HSP90 INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-03-26 EP disclosed
US-8618290-B2 HSP90 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-12-31 US disclosed
US-8592430-B2 Quinazolin-oxime derivatives as Hsp90 inhibitors DAC SLR (IT) 2013-11-26 US disclosed
WO-2013064919-A1 QUINAZOLINE DERIVATIVES WITH HSP90 INHIBITORY ACTIVITY DAC SRL (IT) 2013-05-10 WO disclosed
CN-101287734-A 2-amino-7, 8-dihydro-6H-pyrido [4, 3-d ] pyrimidin-5-ones NOVARTIS AG (CH) 2008-10-15 CN disclosed
EP-1928875-A1 2-AMINO-7,8-DIHYDRO-6H-PYRIDOÝ4,3-D¨PYRIMIDIN-5-ONES Novartis AG (CH) 2008-06-11 EP disclosed
EP-1928875-A1 2-AMINO-7,8-DIHYDRO-6H-PYRIDOÝ4,3-D¨PYRIMIDIN-5-ONES Novartis AG (CH) 2008-06-11 EP disclosed
EP-1928875-A1 2-AMINO-7,8-DIHYDRO-6H-PYRIDOÝ4,3-D¨PYRIMIDIN-5-ONES Novartis AG (CH) 2008-06-11 EP disclosed
US-20070123546-A1 2-amino-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-ones CHIRON CORPORATION 2007-05-31 US disclosed
US-20070123546-A1 2-amino-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-ones CHIRON CORPORATION 2007-05-31 US disclosed
US-20070123546-A1 2-amino-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-ones CHIRON CORPORATION 2007-05-31 US disclosed
WO-2007041362-A1 2-AMINO-7,8-DIHYDRO-6H-PYRIDO[4,3-D] PYRIMIDIN-5-ONES NOVARTIS AG (CH) 2007-04-12 WO disclosed
WO-2007041362-A1 2-AMINO-7,8-DIHYDRO-6H-PYRIDO[4,3-D] PYRIMIDIN-5-ONES NOVARTIS AG (CH) 2007-04-12 WO disclosed
WO-2007041362-A1 2-AMINO-7,8-DIHYDRO-6H-PYRIDO[4,3-D] PYRIMIDIN-5-ONES NOVARTIS AG (CH) 2007-04-12 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-20160346292-A1 PHARMACEUTICAL COMBINATIONS COMPRISING A PYRIDO [4,3-D] PYRIMIDINE DERIVED HSP90-INHIBITOR AND A HER2 INHIBITOR HSP90B1, HSP90AB1, HSP90AB2P CDC7 848/4885CCNA2 191/4885CDK2 29/4885
US-20070123546-A1 2-amino-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-ones TYMP, TPMT, TYMS CDC7 365/4885CCNA2 369/4885CDK2 62/4885
US-20140328834-A1 PHARMACEUTICAL COMBINATIONS COMPRISING A PYRIDO [4,3-D] PYRIMIDINE DERIVED HSP90-INHIBITOR AND A HER2 INHIBITOR HSP90B1, HSP90AB1, HSP90AB2P CDC7 848/4885CCNA2 191/4885CDK2 29/4885
US-20150209362-A1 PHARMACEUTICAL COMBINATIONS COMPRISING A PYRIDO [4,3-D] PYRIMIDINE DERIVED HSP90-INHIBITOR AND A HER2 INHIBITOR HSP90B1, HSP90AB1, HSP90AB2P CDC7 848/4885CCNA2 191/4885CDK2 29/4885
US-20140242088-A1 Hsp90 inhibitor combinations HSP90AB1, HSP90B1, HSP90AA1 CDC7 236/4885CCNA2 770/4885CDK2 430/4885
US-20170049781-A1 HSP90 INHIBITOR COMBINATIONS HSP90AB1, HSP90B1, HSP90AA1 CDC7 244/4885CCNA2 790/4885CDK2 383/4885

“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.