SCHEMBL217990

SCHEMBL217990

COc1cc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1OCCCN

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.68
ERBB2 P04626 5/20 0.68
LCK P06239 1/20 0.61
GAK O14976 1/20 0.59
EPHA2 P29317 2/20 0.58
KDR P35968 2/20 0.58
EPHB4 P54760 1/20 0.58

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
SCHEMBL8305182 0.92 EGFR (0.80) EGFRERBB2LCKGAKEPHA2
SCHEMBL2255348 0.87 EGFR (0.69) EGFRERBB2LCKGAKEPHA2
SCHEMBL6187027 0.87 EGFR (0.77) EGFRERBB2EPHA2KDREPHB4
SCHEMBL215281 0.85 EGFR (0.69) EGFRERBB2LCKGAKKDR
SCHEMBL30638102 0.85 EGFR (0.69) EGFRERBB2LCKGAKKDR
SCHEMBL4868109 0.84 EGFR (0.65) EGFRERBB2LCKGAK
SCHEMBL29087930 0.84 EGFR (0.71) EGFRERBB2LCKGAKKDR
SCHEMBL30638091 0.84 EGFR (0.71) EGFRERBB2LCKGAKKDR
SCHEMBL216038 0.84 EGFR (0.59) EGFRERBB2LCKKDR
SCHEMBL5911655 0.84 EGFR (0.86) EGFRERBB2KDREPHB4

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-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.