SCHEMBL12908994

SCHEMBL12908994

N#Cc1cnc2sc3c(c2c1Nc1ccc2c(cnn2Cc2ccccn2)c1)CCNC3

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.49
ERBB2 P04626 12/20 0.42
KCNH2 Q12809 1/20 0.37
ERBB4 Q15303 1/20 0.36
PRKCQ Q04759 2/20 0.35
LYN P07948 1/20 0.35
PRKCD Q05655 1/20 0.35
MAP3K8 P41279 1/20 0.35

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
SCHEMBL937872 0.88 EGFR (0.62) EGFRERBB2
SCHEMBL938691 0.85 ERBB2 (0.51) EGFRERBB2KCNH2ERBB4
SCHEMBL938568 0.84 EGFR (0.60) EGFRERBB2KCNH2ERBB4PRKCQ
SCHEMBL12908993 0.80 EGFR (0.57) EGFRERBB2
SCHEMBL938318 0.79 STK3 (0.52) EGFRERBB2KCNH2ERBB4LYN
SCHEMBL12909158 0.76 EGFR (0.82) EGFRERBB2KCNH2
SCHEMBL13372627 0.76 EGFR (0.82) EGFRERBB2KCNH2
SCHEMBL937835 0.75 EGFR (0.50) EGFRPRKCQMAP3K8
SCHEMBL12944770 0.75 SIGMAR1 (0.42) EGFRERBB2PRKCQ
SCHEMBL939013 0.73 EGFR (0.76) EGFRERBB2

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 5 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
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
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 1771/4885ERBB2 1732/4885KCNH2 3316/4885

“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.