SCHEMBL2944874

SCHEMBL2944874

COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1NC(=O)C=C1CCN(C)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.64
ERBB2 P04626 3/20 0.58
KDR P35968 3/20 0.58
KDM4E B2RXH2 1/20 0.58
GAK O14976 1/20 0.58
MAPK13 O15264 1/20 0.58
ABL1 P00519 1/20 0.58
CYP1A2 P05177 1/20 0.58
CDK1 P06493 1/20 0.58
CYP3A4 P08684 1/20 0.58
FBP1 P09467 1/20 0.58
CYP2D6 P10635 1/20 0.58
MAPT P10636 1/20 0.58
CYP2C9 P11712 1/20 0.58
SRC P12931 1/20 0.58
TSHR P16473 1/20 0.58
MAPK1 P28482 1/20 0.58
EPHB2 P29323 1/20 0.58
CYP2C19 P33261 1/20 0.58
MAPK12 P53778 1/20 0.58

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
SCHEMBL2943226 0.92 EGFR (0.67) EGFRERBB2FBP1ERBB4
SCHEMBL2949009 0.92 EGFR (0.68) EGFRERBB2KDRFBP1ERBB4
SCHEMBL2949644 0.91 EGFR (0.60) EGFRERBB2KDRKDM4EGAK
SCHEMBL2949982 0.91 EGFR (0.70) EGFRERBB2KDRFBP1HDAC3
SCHEMBL2951295 0.91 EGFR (0.63) EGFRERBB2KDRKDM4EGAK
SCHEMBL2942081 0.90 EGFR (0.63) EGFRERBB2KDRKDM4EGAK
SCHEMBL2950790 0.90 EGFR (0.68) EGFRERBB2KDRFBP1HDAC3
SCHEMBL9910679 0.89 EGFR (0.63) EGFRERBB2KDRKDM4EGAK
SCHEMBL2948762 0.89 EPHA2 (0.63) EGFRERBB2KDRKDM4EGAK
SCHEMBL2944235 0.88 EGFR (0.68) EGFRERBB2GAKFBP1MAPT

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 22 patents — showing the first 20. 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-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
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-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 616/4885ERBB2 199/4885KDR 1167/4885
US-20090105247-A1 QUINAZOLINE AND QUINOLINE DERIVATIVES AS IRREVERSIBLE PROTEIN TYROSINE KINASE INHIBITORS ABL1, MAP3K7, MAP3K5 EGFR 621/4885ERBB2 170/4885KDR 957/4885
US-20100240649-A1 QUINAZOLINE AND QUINOLINE DERIVATIVES AS IRREVERSIBLE PROTEIN TYROSINE KINASE INHIBITORS ABL1, MAP3K7, MAP3K5 EGFR 621/4885ERBB2 170/4885KDR 957/4885

“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.