SCHEMBL215281

SCHEMBL215281

COc1cc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1O

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.69
ERBB2 P04626 12/20 0.69
LCK P06239 1/20 0.69
ERBB4 Q15303 2/20 0.62
ERBB3 P21860 1/20 0.62
AURKA O14965 1/20 0.60
RPS6KB1 P23443 1/20 0.60
RET P07949 2/20 0.60
KIF5B P33176 2/20 0.60
KDR P35968 2/20 0.60
GAK O14976 1/20 0.59
KCNH2 Q12809 1/20 0.57

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
SCHEMBL30638102 1.00 EGFR (0.69) EGFRERBB2LCKERBB4ERBB3
SCHEMBL8305182 0.92 EGFR (0.80) EGFRERBB2LCKERBB4ERBB3
SCHEMBL8309982 0.90 EGFR (0.85) EGFRERBB2LCKERBB4RET
SCHEMBL2255348 0.89 EGFR (0.69) EGFRERBB2LCKERBB4ERBB3
SCHEMBL30638091 0.87 EGFR (0.71) EGFRERBB2LCKERBB4ERBB3
SCHEMBL29087930 0.87 EGFR (0.71) EGFRERBB2LCKERBB4ERBB3
SCHEMBL5568971 0.86 ERBB2 (0.76) EGFRERBB2LCKERBB4ERBB3
SCHEMBL8307018 0.86 EGFR (0.85) EGFRERBB2LCKERBB4AURKA
SCHEMBL5489248 0.86 EGFR (0.70) EGFRERBB2LCKERBB4ERBB3
SCHEMBL2247576 0.85 EGFR (0.64) EGFRERBB2LCKERBB4ERBB3

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116655599-A Synthesis and application of EGFR allosteric inhibitors 江南大学 2023-08-29 CN disclosed
US-8088766-B2 Cyanoguanidines and cyanoamidines as ErbB2 and EGFR inhibitors ARRAY BIOPHARMA INC. (US) 2012-01-03 US disclosed
US-7488823-B2 Cyanoguanidines and cyanoamidines as ErbB2 and EGFR inhibitors ARRAY BIOPHARMA, INC. (US) 2009-02-10 US disclosed
US-20090012290-A1 CYANOGUANIDINES AND CYANOAMIDINES AS ERBB2 AND EGFR INHIBITORS ARRAY BIOPHARMA, INC. (US) 2009-01-08 US disclosed
EP-1567506-A4 CYANOGUANIDINES AND CYANOAMIDINES AS ERBB2 AND EGFR INHIBITORS ARRAY BIOPHARMA INC (US) 2007-06-20 EP disclosed
EP-1567506-A2 CYANOGUANIDINES AND CYANOAMIDINES AS ERBB2 AND EGFR INHIBITORS Array Biopharma, Inc. (US) 2005-08-31 EP disclosed
US-20050101617-A1 Cyanoguanidines and cyanoamidines as ErbB2 and EGFR inhibitors ARRAY BIOPHARMA, INC. 2005-05-12 US disclosed
WO-2004046101-A2 CYANOGUANIDINES AND CYANOAMIDINES AS ERBB2 AND EGFR INHIBITORS ARRAY BIOPHARMA, INC. (US) 2004-06-03 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-20090012290-A1 CYANOGUANIDINES AND CYANOAMIDINES AS ERBB2 AND EGFR INHIBITORS ERBB2, GRB2, EGFR EGFR 3/4885ERBB2 1/4885LCK 646/4885
US-20050101617-A1 Cyanoguanidines and cyanoamidines as ErbB2 and EGFR inhibitors ERBB2, GRB2, EGFR EGFR 3/4885ERBB2 1/4885LCK 646/4885

“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.