SCHEMBL938649

SCHEMBL938649

Fc1ccc(Nc2ncnc3sc4c(c23)CCNCC4)cc1Cl

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.79
FGFR1 P11362 2/20 0.77
CCNA2 P20248 1/20 0.69
CDK2 P24941 1/20 0.69
CCNA1 P78396 1/20 0.69
MAPT P10636 4/20 0.64
RAF1 P04049 3/20 0.64
MAPK1 P28482 3/20 0.64
HTT P42858 3/20 0.64
MAP2K1 Q02750 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
MKNK1 Q9BUB5 4/20 0.58
GAA P10253 1/20 0.54
KDR P35968 1/20 0.54
LMNA P02545 1/20 0.53

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
SCHEMBL938202 0.93 EGFR (0.74) EGFRFGFR1CCNA2CDK2CCNA1
SCHEMBL939383 0.87 EGFR (0.78) EGFRFGFR1CCNA2CDK2CCNA1
SCHEMBL939394 0.85 EGFR (0.72) EGFRFGFR1CCNA2CDK2CCNA1
SCHEMBL938132 0.83 EGFR (0.60) EGFRFGFR1CCNA2CDK2CCNA1
SCHEMBL938557 0.83 KDR (0.65) EGFRFGFR1CCNA2CDK2CCNA1
SCHEMBL2086491 0.82 EGFR (0.74) EGFRFGFR1CCNA2CDK2CCNA1
SCHEMBL12944795 0.80 MAPT (0.62) EGFRFGFR1CCNA2CDK2CCNA1
SCHEMBL2084756 0.79 EGFR (0.68) EGFRFGFR1CCNA2CDK2CCNA1
SCHEMBL24995849 0.78 EGFR (0.50) EGFRFGFR1CCNA2CDK2CCNA1
SCHEMBL30222170 0.78 EGFR (0.50) 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 7 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
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
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 (1 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-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.