SCHEMBL2947609

SCHEMBL2947609

COc1cccc(Oc2ccc(Nc3ncnc4cc(OC)c(NC(=O)C=C5CCNCC5)cc34)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.60
ERBB4 Q15303 9/20 0.60
ERBB2 P04626 4/20 0.60
JAK3 P52333 1/20 0.58
KDR P35968 3/20 0.53
RIPK2 O43353 1/20 0.53
EPHB2 P29323 1/20 0.53
ABCB1 P08183 1/20 0.51
ABCG2 Q9UNQ0 1/20 0.51
PDGFRB P09619 1/20 0.50
FLT4 P35916 1/20 0.50
ERBB3 P21860 1/20 0.49
DUS2 Q9NX74 1/20 0.49
TTBK1 Q5TCY1 1/20 0.49
TTBK2 Q6IQ55 1/20 0.49
LCK P06239 2/20 0.48
RET P07949 1/20 0.48
SRC P12931 1/20 0.48

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
SCHEMBL2948166 0.88 EGFR (0.58) EGFRERBB4ERBB2JAK3KDR
SCHEMBL9910693 0.86 EGFR (0.62) EGFRERBB4ERBB2JAK3KDR
SCHEMBL2942081 0.84 EGFR (0.63) EGFRERBB4ERBB2KDREPHB2
SCHEMBL2952195 0.82 EGFR (0.68) EGFRERBB4ERBB2ERBB3
SCHEMBL2944927 0.81 EGFR (0.75) EGFRERBB4ERBB2JAK3RIPK2
SCHEMBL9910692 0.81 EGFR (0.59) EGFRERBB4ERBB2JAK3KDR
SCHEMBL2950764 0.80 EGFR (0.70) EGFRERBB4ERBB2JAK3RIPK2
SCHEMBL9911516 0.80 EGFR (0.55) EGFRERBB4ERBB2JAK3RIPK2
SCHEMBL15391099 0.80 EGFR (0.75) EGFRERBB4ERBB2JAK3KDR
SCHEMBL2948423 0.80 EGFR (0.61) EGFRERBB4ERBB2JAK3KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765946-B2 Methods of preparing and using quinazoline and quinoline derivatives TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2014-07-01 US claimed
US-7754729-B2 Quinazoline and quinoline derivatives as irreversible protein tyrosine kinase inhibitors TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2010-07-13 US claimed
US-20090105247-A1 QUINAZOLINE AND QUINOLINE DERIVATIVES AS IRREVERSIBLE PROTEIN TYROSINE KINASE INHIBITORS TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2009-04-23 US claimed
US-8765946-B2 Methods of preparing and using quinazoline and quinoline derivatives TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2014-07-01 US disclosed
US-8765946-B2 Methods of preparing and using quinazoline and quinoline derivatives TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2014-07-01 US disclosed
US-8765946-B2 Methods of preparing and using quinazoline and quinoline derivatives TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2014-07-01 US disclosed
EP-2045245-B1 INREVERSIBLE PROTEIN TYROSINE KINASES INHIBITORS AND THE PREPARATION METHODS AND USES THEREOF TIAN JIN HEMAY BIO TECH CO LTD (CN) 2013-10-23 EP disclosed
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-20120225872-A1 METHODS OF PREPARING AND USING QUINAZOLINE AND QUINOLINE DERIVATIVES TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2012-09-06 US disclosed
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
US-7754729-B2 Quinazoline and quinoline derivatives as irreversible protein tyrosine kinase inhibitors TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2010-07-13 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
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
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
EP-2045245-A1 INREVERSIBLE PROTEIN TYROSINE KINASES INHIBITORS AND THE PREPARATION METHODS AND USES THEREOF Tian Jin Hemay Bio-Tech Co., Ltd. (CN) 2009-04-08 EP 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 (3 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 616/4885ERBB4 550/4885ERBB2 199/4885
US-20090105247-A1 QUINAZOLINE AND QUINOLINE DERIVATIVES AS IRREVERSIBLE PROTEIN TYROSINE KINASE INHIBITORS ABL1, MAP3K7, MAP3K5 EGFR 621/4885ERBB4 407/4885ERBB2 170/4885
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.