SCHEMBL9910693

SCHEMBL9910693

COc1ccc(COc2ccc(Nc3ncnc4cc(OC)c(NC(=O)C=C5CCNCC5)cc34)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.62
ERBB4 Q15303 10/20 0.62
ERBB2 P04626 6/20 0.62
KDR P35968 1/20 0.53
JAK3 P52333 1/20 0.51
LCK P06239 2/20 0.50
ERBB3 P21860 1/20 0.49
DUS2 Q9NX74 1/20 0.49

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
SCHEMBL9911516 0.91 EGFR (0.55) EGFRERBB4ERBB2JAK3LCK
SCHEMBL2948423 0.90 EGFR (0.61) EGFRERBB4ERBB2KDRJAK3
SCHEMBL9910692 0.87 EGFR (0.59) EGFRERBB4ERBB2KDRJAK3
SCHEMBL2947609 0.86 EGFR (0.60) EGFRERBB4ERBB2KDRJAK3
SCHEMBL2948376 0.85 EGFR (0.61) EGFRERBB4ERBB2KDRERBB3
SCHEMBL2948166 0.81 EGFR (0.58) EGFRERBB4ERBB2KDRJAK3
SCHEMBL9911451 0.81 EGFR (0.55) EGFRERBB4ERBB2JAK3LCK
SCHEMBL12094810 0.81 EGFR (0.62) EGFRERBB4ERBB2JAK3
SCHEMBL2944927 0.81 EGFR (0.75) EGFRERBB4ERBB2JAK3LCK
SCHEMBL2942081 0.81 EGFR (0.63) EGFRERBB4ERBB2KDR

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 4 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-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-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 621/4885ERBB4 407/4885ERBB2 170/4885

“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.