SCHEMBL216406

SCHEMBL216406

Cc1ccc(Oc2ccc(Nc3ncnc4ccc(-c5csc(CN=C(N)NC#N)n5)cc34)cc2C)cn1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
ERBB2 P04626 12/20 0.47
FECH P22830 1/20 0.47
CDK8 P49336 1/20 0.47
MAP2K5 Q13163 1/20 0.47
CDK19 Q9BWU1 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
ERBB3 P21860 1/20 0.46
ERBB4 Q15303 1/20 0.46
KCNH2 Q12809 3/20 0.41
EPHA2 P29317 1/20 0.39
KDR P35968 1/20 0.39
EPHB4 P54760 1/20 0.39

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
SCHEMBL216565 0.87 EGFR (0.55) EGFRHDAC1HDAC6ERBB2FECH
SCHEMBL2736365 0.86 EGFR (0.50) EGFRHDAC1HDAC6ERBB2FECH
SCHEMBL216405 0.86 EGFR (0.50) EGFRHDAC1HDAC6ERBB2FECH
SCHEMBL218431 0.81 ERBB2 (0.50) EGFRHDAC1HDAC6ERBB2FECH
SCHEMBL4468668 0.78 EGFR (0.67) EGFRHDAC1HDAC6ERBB2FECH
SCHEMBL6846207 0.77 EGFR (0.59) EGFRHDAC1HDAC6ERBB2FECH
SCHEMBL218430 0.74 ERBB2 (0.54) EGFRHDAC1HDAC6ERBB2FECH
SCHEMBL2760082 0.74 ERBB2 (0.54) EGFRHDAC1HDAC6ERBB2FECH
SCHEMBL4866251 0.74 EGFR (0.67) EGFRHDAC1HDAC6ERBB2FECH
SCHEMBL2736366 0.74 ERBB2 (0.54) EGFRHDAC1HDAC6ERBB2FECH

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 3/4885HDAC1 3901/4885HDAC6 3777/4885
US-20050101617-A1 Cyanoguanidines and cyanoamidines as ErbB2 and EGFR inhibitors ERBB2, GRB2, EGFR EGFR 3/4885HDAC1 3901/4885HDAC6 3777/4885

“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.