SCHEMBL2760199

SCHEMBL2760199

COc1cc2ncnc(Nc3ccc(OCc4ccccn4)c(C)c3)c2cc1OCCCN/C(=N\C#N)N(C)C

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.68
ERBB2 P04626 3/20 0.68
KDR P35968 6/20 0.47
FGFR1 P11362 1/20 0.46
FLT1 P17948 1/20 0.46
ERBB4 Q15303 1/20 0.45
ATM Q13315 1/20 0.44
RET P07949 1/20 0.44
KIF5B P33176 1/20 0.44
CLK1 P49759 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44

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
SCHEMBL13946642 0.93 EGFR (0.62) EGFRERBB2KDRFGFR1FLT1
SCHEMBL2736370 0.92 EGFR (0.56) EGFRERBB2
SCHEMBL5505972 0.92 EGFR (0.56) EGFRERBB2
SCHEMBL2736391 0.86 EGFR (0.52) EGFRERBB2
SCHEMBL5498832 0.86 EGFR (0.52) EGFRERBB2
SCHEMBL8304947 0.83 EGFR (0.81) EGFRERBB2KDRFGFR1FLT1
SCHEMBL8307435 0.83 EGFR (0.83) EGFRERBB2KDRFGFR1FLT1
SCHEMBL8306859 0.82 EGFR (1.00) EGFRERBB2KDRFGFR1FLT1
Hydrochloric Acid SCHEMBL8309362 0.81 EGFR (0.98) EGFRERBB2KDRFGFR1FLT1
SCHEMBL8307018 0.77 EGFR (0.85) EGFRERBB2KDRFGFR1FLT1

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 2 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-20090012290-A1 CYANOGUANIDINES AND CYANOAMIDINES AS ERBB2 AND EGFR INHIBITORS ARRAY BIOPHARMA, INC. (US) 2009-01-08 US 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-20090012290-A1 CYANOGUANIDINES AND CYANOAMIDINES AS ERBB2 AND EGFR INHIBITORS ERBB2, GRB2, EGFR EGFR 3/4885ERBB2 1/4885KDR 141/4885

“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.