SCHEMBL9911531

SCHEMBL9911531

Bc1cccc(Nc2c(C#N)cnc3cc(OC)c(NC(=O)C=C4CCNCC4)cc23)c1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.62
ERBB2 P04626 18/20 0.62
STK4 Q13043 2/20 0.53
GAK O14976 1/20 0.50

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
SCHEMBL9911506 0.93 STK4 (0.61) EGFRERBB2STK4GAK
SCHEMBL9911507 0.92 EGFR (0.53) EGFRERBB2STK4
SCHEMBL2949065 0.91 EGFR (0.63) EGFRERBB2STK4
SCHEMBL2948763 0.91 EGFR (0.76) EGFRERBB2STK4GAK
SCHEMBL2951861 0.90 EGFR (0.64) EGFRERBB2STK4GAK
SCHEMBL2951556 0.85 EGFR (0.70) EGFRERBB2STK4GAK
SCHEMBL9911609 0.85 EGFR (0.58) EGFRERBB2STK4GAK
SCHEMBL9911478 0.85 EGFR (0.59) EGFRERBB2
SCHEMBL2945880 0.84 EGFR (0.71) EGFRERBB2STK4
SCHEMBL2948372 0.84 STK4 (0.68) EGFRERBB2STK4GAK

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120225872-A1 METHODS OF PREPARING AND USING QUINAZOLINE AND QUINOLINE DERIVATIVES TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2012-09-06 US disclosed
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 (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-20120225872-A1 METHODS OF PREPARING AND USING QUINAZOLINE AND QUINOLINE DERIVATIVES ABL1, MAP3K7, MAP3K5 EGFR 616/4885ERBB2 199/4885STK4 237/4885
US-20100240649-A1 QUINAZOLINE AND QUINOLINE DERIVATIVES AS IRREVERSIBLE PROTEIN TYROSINE KINASE INHIBITORS ABL1, MAP3K7, MAP3K5 EGFR 621/4885ERBB2 170/4885STK4 73/4885

“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.