SCHEMBL9911504

SCHEMBL9911504

Bc1cccc(Nc2c(C#N)cnc3cc(OCCOC)c(N)cc23)c1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.68
ERBB2 P04626 13/20 0.68
SRC P12931 3/20 0.58
GAK O14976 2/20 0.55
MAP2K1 Q02750 1/20 0.52

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
SCHEMBL9911519 0.89 EGFR (0.71) EGFRERBB2SRCGAKMAP2K1
SCHEMBL3594390 0.89 EGFR (0.86) EGFRERBB2SRCGAK
SCHEMBL3593063 0.88 EGFR (0.86) EGFRERBB2SRCGAK
SCHEMBL12094777 0.83 EGFR (0.59) EGFRERBB2SRC
SCHEMBL3600034 0.82 EGFR (0.72) EGFRERBB2SRC
SCHEMBL6380173 0.81 EGFR (1.00) EGFRERBB2SRCGAK
SCHEMBL3593176 0.80 EGFR (0.60) EGFRERBB2GAK
SCHEMBL22419601 0.79 EGFR (0.71) EGFRERBB2SRCGAK
SCHEMBL12094771 0.79 EGFR (0.72) EGFRERBB2SRCGAKMAP2K1
SCHEMBL20584416 0.78 EGFR (0.71) EGFRERBB2SRCGAK

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-8198301-B2 Quinazoline and quinoline derivatives as irreversibe protein tyrosine kinase inhibitors TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2012-06-12 US disclosed
US-20100240649-A1 QUINAZOLINE AND QUINOLINE DERIVATIVES AS IRREVERSIBLE PROTEIN TYROSINE KINASE INHIBITORS TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2010-09-23 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-20100240649-A1 QUINAZOLINE AND QUINOLINE DERIVATIVES AS IRREVERSIBLE PROTEIN TYROSINE KINASE INHIBITORS ABL1, MAP3K7, MAP3K5 EGFR 621/4885ERBB2 170/4885SRC 82/4885

“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.