SCHEMBL938568

SCHEMBL938568

N#Cc1cnc2sc3c(c2c1Nc1ccc2c(cnn2Cc2ccccn2)c1)CCN(C(=O)O)C3

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.60
ERBB2 P04626 10/20 0.41
KCNH2 Q12809 1/20 0.40
ERBB4 Q15303 1/20 0.38
BRD4 O60885 1/20 0.35
EP300 Q09472 1/20 0.35
CREBBP Q92793 1/20 0.35
PRKCQ Q04759 1/20 0.35
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
MKNK1 Q9BUB5 1/20 0.34
TNNI3K Q59H18 1/20 0.34

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
SCHEMBL12908993 0.90 EGFR (0.57) EGFRERBB2MKNK1
SCHEMBL939013 0.88 EGFR (0.76) EGFRERBB2MKNK1
SCHEMBL12909158 0.86 EGFR (0.82) EGFRERBB2KCNH2
SCHEMBL13372627 0.86 EGFR (0.82) EGFRERBB2KCNH2
SCHEMBL12908994 0.84 EGFR (0.49) EGFRERBB2KCNH2ERBB4PRKCQ
SCHEMBL938091 0.81 EGFR (0.55) EGFRERBB2KCNH2ERBB4
SCHEMBL12908995 0.79 EGFR (0.72) EGFRERBB2MKNK1
SCHEMBL938524 0.78 EGFR (0.67) EGFRERBB2PRKCQMKNK1
SCHEMBL938914 0.76 EGFR (0.74) EGFRERBB2
SCHEMBL1016242 0.75 EGFR (0.57) EGFRERBB2ERBB4

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
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

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.