SCHEMBL2084756

SCHEMBL2084756

Fc1ccc(Nc2ncnc3sc4c(c23)CCC2(C4)OCCO2)cc1Cl

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.68
FGFR1 P11362 2/20 0.67
CCNA2 P20248 1/20 0.62
CDK2 P24941 1/20 0.62
CCNA1 P78396 1/20 0.62
MAPT P10636 3/20 0.55
RAF1 P04049 2/20 0.55
MAPK1 P28482 2/20 0.55
HTT P42858 2/20 0.55
MAP2K1 Q02750 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MKNK1 Q9BUB5 4/20 0.52
GAA P10253 1/20 0.47

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
SCHEMBL10227818 0.82 EGFR (0.74) EGFR
SCHEMBL10227889 0.82 EGFR (0.60) EGFRFGFR1MKNK1
SCHEMBL5630475 0.82 EGFR (0.66) EGFRFGFR1CCNA2CDK2CCNA1
SCHEMBL10227854 0.80 EGFR (0.55) EGFR
Hydrochloric Acid SCHEMBL2196386 0.80 EGFR (0.54) EGFR
SCHEMBL5630686 0.79 CCNA2 (0.57) EGFRFGFR1CCNA2CDK2CCNA1
SCHEMBL2193915 0.79 EGFR (0.52) EGFRFGFR1CCNA2CDK2CCNA1
SCHEMBL938649 0.79 EGFR (0.79) EGFRFGFR1CCNA2CDK2CCNA1
SCHEMBL938202 0.78 EGFR (0.74) EGFRFGFR1CCNA2CDK2CCNA1
SCHEMBL2086491 0.78 EGFR (0.74) EGFRFGFR1CCNA2CDK2CCNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1799653-B1 Condensed thienopyrimidine derivatives for the treatment of cancer BAYER IP GMBH (DE) 2013-03-20 EP disclosed
EP-1799653-B1 Condensed thienopyrimidine derivatives for the treatment of cancer BAYER IP GMBH (DE) 2013-03-20 EP disclosed
US-8207172-B2 Pyrimidinothienoindazoles useful for the treatment of hyperproliferative disorders BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-06-26 US disclosed
US-8207172-B2 Pyrimidinothienoindazoles useful for the treatment of hyperproliferative disorders BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-06-26 US disclosed
US-8207172-B2 Pyrimidinothienoindazoles useful for the treatment of hyperproliferative disorders BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-06-26 US disclosed
US-20110172224-A1 NOVEL HETEROCYCLES BAYER PHARMACEUTICALS CORPORATION (US) 2011-07-14 US disclosed
US-20110172224-A1 NOVEL HETEROCYCLES BAYER PHARMACEUTICALS CORPORATION (US) 2011-07-14 US disclosed
US-20110172224-A1 NOVEL HETEROCYCLES BAYER PHARMACEUTICALS CORPORATION (US) 2011-07-14 US disclosed
US-20110053928-A1 PYRIMIDOTHIENOINDAZOLES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-03 US disclosed
US-20110053928-A1 PYRIMIDOTHIENOINDAZOLES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-03 US disclosed
US-20070299066-A1 Novel Pyrimidothienoindazoles BAYER PHAMACEUTICALS CORPORATION (US) 2007-12-27 US disclosed
US-20070299066-A1 Novel Pyrimidothienoindazoles BAYER PHAMACEUTICALS CORPORATION (US) 2007-12-27 US disclosed
US-20070299066-A1 Novel Pyrimidothienoindazoles BAYER PHAMACEUTICALS CORPORATION (US) 2007-12-27 US disclosed
EP-1819711-A2 PYRIMIDOTHIENOINDAZOLES CAPABLE OF INHIBITING TYROSINE KINASES OF THE EPIDERMAL GROWTH FACTOR Bayer Pharmaceuticals Corporation (US) 2007-08-22 EP disclosed
US-7238701-B2 Substituted tetrahydrobenzothienopyrimidinamine compounds useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2007-07-03 US disclosed
US-7238701-B2 Substituted tetrahydrobenzothienopyrimidinamine compounds useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2007-07-03 US disclosed
US-7238701-B2 Substituted tetrahydrobenzothienopyrimidinamine compounds useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2007-07-03 US disclosed
US-20060293322-A1 Substituted tetrahydrobenzothienopyrimidinamine compounds useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2006-12-28 US disclosed
EP-1651652-B1 SUBSTITUTED TETRAHYDROBENZOTHIENOPYRIMIDINAMINE COMPOUNDS USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORP (US) 2006-12-27 EP disclosed
WO-2006055268-A2 PYRIMIDOTHIENOINDAZOLES CAPABLE OF INHIBITING TYROSINE KINASES OF THE EPIDERMAL GROWTH FACTOR BAYER PHARMACEUTICALS CORPORATION (US) 2006-05-26 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 (4 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-20070299066-A1 Novel Pyrimidothienoindazoles CCNI, TPMT, TYMP EGFR 4006/4885FGFR1 2067/4885CCNA2 29/4885
US-20110053928-A1 PYRIMIDOTHIENOINDAZOLES CCNI, TPMT, TYMP EGFR 3262/4885FGFR1 1980/4885CCNA2 31/4885
US-20110172224-A1 NOVEL HETEROCYCLES CCNI, PCNA, CCNA1 EGFR 2146/4885FGFR1 1058/4885CCNA2 5/4885
US-20060293322-A1 Substituted tetrahydrobenzothienopyrimidinamine compounds useful for treating hyper-proliferative disorders MKI67, PCNA, MYC EGFR 1499/4885FGFR1 149/4885CCNA2 9/4885

“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.