SCHEMBL217090

SCHEMBL217090

NCC#Cc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.68
GAK O14976 1/20 0.68
ERBB2 P04626 14/20 0.68
ERBB4 Q15303 2/20 0.63
ERBB3 P21860 1/20 0.59
ABL1 P00519 2/20 0.58
INSR P06213 2/20 0.58
PDGFRB P09619 2/20 0.58
CDK2 P24941 2/20 0.58
PLK1 P53350 2/20 0.58
HDAC1 Q13547 2/20 0.58
HDAC8 Q9BY41 2/20 0.58
HDAC6 Q9UBN7 2/20 0.58
HDAC3 O15379 1/20 0.58
HDAC4 P56524 1/20 0.58
HDAC7 Q8WUI4 1/20 0.58
HDAC2 Q92769 1/20 0.58
HDAC10 Q969S8 1/20 0.58
HDAC11 Q96DB2 1/20 0.58
HDAC9 Q9UKV0 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
SCHEMBL2700695 0.92 EGFR (0.68) EGFRGAKERBB2ERBB4ERBB3
SCHEMBL2698774 0.91 EGFR (0.74) EGFRGAKERBB2ERBB4ERBB3
SCHEMBL28347182 0.88 EGFR (0.74) EGFRGAKERBB2ERBB4ERBB3
SCHEMBL2702580 0.86 EGFR (0.64) EGFRGAKERBB2ERBB4ERBB3
SCHEMBL233913 0.86 EGFR (0.77) EGFRGAKERBB2ERBB4ERBB3
SCHEMBL2699756 0.85 EGFR (0.64) EGFRGAKERBB2ERBB4ERBB3
SCHEMBL216927 0.84 EGFR (0.65) EGFRGAKERBB2ERBB4ABL1
SCHEMBL14509726 0.84 EGFR (0.75) EGFRGAKERBB2ERBB4ERBB3
SCHEMBL2505296 0.84 EGFR (0.77) EGFRGAKERBB2ERBB4ERBB3
SCHEMBL2510931 0.84 EGFR (0.75) EGFRGAKERBB2ERBB4ERBB3

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 3/4885GAK 127/4885ERBB2 1/4885
US-20050101617-A1 Cyanoguanidines and cyanoamidines as ErbB2 and EGFR inhibitors ERBB2, GRB2, EGFR EGFR 3/4885GAK 127/4885ERBB2 1/4885

“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.