SCHEMBL9911319

SCHEMBL9911319

COCCOc1cc2ncnc(Nc3ccc4[nH]ccc4c3)c2cc1NC(=O)C=C1CCN(C(=O)O)CC1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.57
ERBB2 P04626 7/20 0.57
ERBB4 Q15303 3/20 0.50
JAK3 P52333 2/20 0.50
PDGFRB P09619 1/20 0.47
SRC P12931 1/20 0.47
RET P07949 1/20 0.47

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
SCHEMBL4279612 0.92 EGFR (0.65) EGFRERBB2ERBB4JAK3SRC
SCHEMBL2943820 0.91 EGFR (0.54) EGFRERBB2ERBB4JAK3PDGFRB
SCHEMBL2944916 0.91 EGFR (0.61) EGFRERBB2ERBB4JAK3SRC
SCHEMBL9911452 0.85 EGFR (0.69) EGFRERBB2SRC
SCHEMBL2949753 0.84 EGFR (0.61) EGFRERBB2ERBB4JAK3SRC
SCHEMBL4271168 0.83 EGFR (0.68) EGFRERBB2ERBB4JAK3SRC
SCHEMBL12094808 0.83 EGFR (0.73) EGFRERBB2ERBB4JAK3PDGFRB
SCHEMBL2950764 0.83 EGFR (0.70) EGFRERBB2ERBB4JAK3SRC
SCHEMBL2944918 0.80 EGFR (0.61) EGFRERBB2ERBB4SRCRET
SCHEMBL2949009 0.79 EGFR (0.68) EGFRERBB2ERBB4

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-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
US-20090105247-A1 QUINAZOLINE AND QUINOLINE DERIVATIVES AS IRREVERSIBLE PROTEIN TYROSINE KINASE INHIBITORS TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2009-04-23 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-20090105247-A1 QUINAZOLINE AND QUINOLINE DERIVATIVES AS IRREVERSIBLE PROTEIN TYROSINE KINASE INHIBITORS ABL1, MAP3K7, MAP3K5 EGFR 621/4885ERBB2 170/4885ERBB4 407/4885
US-20100240649-A1 QUINAZOLINE AND QUINOLINE DERIVATIVES AS IRREVERSIBLE PROTEIN TYROSINE KINASE INHIBITORS ABL1, MAP3K7, MAP3K5 EGFR 621/4885ERBB2 170/4885ERBB4 407/4885

“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.