SCHEMBL938202

SCHEMBL938202

Fc1ccc(Nc2ncnc3sc4c(c23)CCNC4)cc1Cl

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.74
FGFR1 P11362 2/20 0.73
CCNA2 P20248 1/20 0.68
CDK2 P24941 1/20 0.68
CCNA1 P78396 1/20 0.68
KDR P35968 2/20 0.62
RAF1 P04049 2/20 0.60
MAPT P10636 2/20 0.60
MAPK1 P28482 2/20 0.60
HTT P42858 2/20 0.60
MAP2K1 Q02750 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
MET P08581 1/20 0.56
MKNK1 Q9BUB5 4/20 0.54
TNNI3K Q59H18 3/20 0.53
MKNK2 Q9HBH9 1/20 0.51
GAA P10253 1/20 0.51

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
SCHEMBL939383 0.94 EGFR (0.78) EGFRFGFR1CCNA2CDK2CCNA1
SCHEMBL938649 0.93 EGFR (0.79) EGFRFGFR1CCNA2CDK2CCNA1
SCHEMBL939394 0.91 EGFR (0.72) EGFRFGFR1CCNA2CDK2CCNA1
SCHEMBL938557 0.91 KDR (0.65) EGFRFGFR1CCNA2CDK2CCNA1
SCHEMBL12944795 0.88 MAPT (0.62) EGFRFGFR1CCNA2CDK2CCNA1
SCHEMBL937433 0.84 EGFR (0.63) EGFRFGFR1CCNA2CDK2CCNA1
SCHEMBL938132 0.82 EGFR (0.60) EGFRFGFR1CCNA2CDK2CCNA1
SCHEMBL2086491 0.82 EGFR (0.74) EGFRFGFR1CCNA2CDK2CCNA1
SCHEMBL12908963 0.82 KDR (0.57) EGFRFGFR1CCNA2CDK2CCNA1
Hydrochloric Acid SCHEMBL938228 0.81 KDR (0.56) 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524722-B2 Substituted tricyclic compounds and methods of use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-09-03 US disclosed
US-8524722-B2 Substituted tricyclic compounds and methods of use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-09-03 US disclosed
US-8501755-B2 Tetrahydropyridothienopyrimidine compounds and methods of use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-06 US disclosed
US-8501755-B2 Tetrahydropyridothienopyrimidine compounds and methods of use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-06 US disclosed
US-8501755-B2 Tetrahydropyridothienopyrimidine compounds and methods of use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-06 US disclosed
EP-2212332-B1 SUBSTITUTED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF BAYER IP GMBH (DE) 2012-10-24 EP disclosed
EP-2212332-B1 SUBSTITUTED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF BAYER IP GMBH (DE) 2012-10-24 EP disclosed
US-20110021493-A1 SUBSTITUTED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-27 US disclosed
US-20110021493-A1 SUBSTITUTED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-27 US disclosed
EP-2001890-B1 TETRAHYDROPYRIDOTHIENOPYRIMIDINE COMPOUNDS AND USE FOR THE TREATMENT OF CELL PROLIFERATIVE DISORDERS BAYER SCHERING PHARMA AG (DE) 2011-01-12 EP disclosed
EP-2001890-B1 TETRAHYDROPYRIDOTHIENOPYRIMIDINE COMPOUNDS AND USE FOR THE TREATMENT OF CELL PROLIFERATIVE DISORDERS BAYER SCHERING PHARMA AG (DE) 2011-01-12 EP disclosed
US-20100298297-A1 Tetrahydropyridothienopyrimidine Compounds and Methods of Use Thereof BAYER HEALTHCARE AG (DE) 2010-11-25 US disclosed
US-20100298297-A1 Tetrahydropyridothienopyrimidine Compounds and Methods of Use Thereof BAYER HEALTHCARE AG (DE) 2010-11-25 US disclosed
US-20100298297-A1 Tetrahydropyridothienopyrimidine Compounds and Methods of Use Thereof BAYER HEALTHCARE AG (DE) 2010-11-25 US disclosed
EP-2212332-A1 SUBSTITUTED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2010-08-04 EP disclosed
WO-2009033581-A1 SUBSTITUTED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-03-19 WO disclosed
WO-2009033581-A1 SUBSTITUTED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-03-19 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 (2 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-20100298297-A1 Tetrahydropyridothienopyrimidine Compounds and Methods of Use Thereof DPYD, TYMP, TPMT EGFR 2580/4885FGFR1 2604/4885CCNA2 564/4885
US-20110021493-A1 SUBSTITUTED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF CYP11B2, CYP11B1, CYP11A1 EGFR 1771/4885FGFR1 3381/4885CCNA2 456/4885

“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.