SCHEMBL9910674

SCHEMBL9910674

COc1cc2ncnc(Nc3ccc(OCc4cccc(Cl)c4)c(Cl)c3)c2cc1N

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.71
GAK O14976 1/20 0.71
MAPK1 P28482 3/20 0.60
KDM4E B2RXH2 2/20 0.60
MAPT P10636 2/20 0.60
FBP1 P09467 2/20 0.60
RAF1 P04049 2/20 0.60
MEN1 O00255 1/20 0.60
GMNN O75496 1/20 0.60
ALDH1A1 P00352 1/20 0.60
ABL1 P00519 1/20 0.60
LMNA P02545 1/20 0.60
TP53 P04637 1/20 0.60
CYP1A2 P05177 1/20 0.60
GLA P06280 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
SRC P12931 1/20 0.60
HPGD P15428 1/20 0.60
ALOX15 P16050 1/20 0.60

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
SCHEMBL9910688 0.92 EGFR (0.69) EGFRGAKERBB2ERBB4KDR
SCHEMBL9910689 0.91 EGFR (0.64) EGFRGAKMAPK1KDM4EMAPT
SCHEMBL9910672 0.91 EGFR (0.86) EGFRGAKERBB2ERBB4KDR
SCHEMBL4868547 0.87 KDR (0.76) EGFRGAKFBP1ERBB2ERBB4
SCHEMBL9910667 0.85 EGFR (0.67) EGFRGAKERBB2ERBB4
SCHEMBL1417950 0.85 EGFR (0.82) EGFRMAPK1KDM4EMAPTFBP1
SCHEMBL2255348 0.84 EGFR (0.69) EGFRGAKERBB2ERBB4LCK
SCHEMBL4867987 0.84 EGFR (0.59) EGFRGAKMAPK1KDM4EMAPT
SCHEMBL8933754 0.83 EGFR (0.80) EGFRGAKFBP1ERBB2LCK
SCHEMBL2509312 0.83 EGFR (1.00) EGFRGAKERBB2ERBB4KDR

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 11 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 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-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-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-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

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 616/4885GAK 114/4885MAPK1 66/4885
US-20090105247-A1 QUINAZOLINE AND QUINOLINE DERIVATIVES AS IRREVERSIBLE PROTEIN TYROSINE KINASE INHIBITORS ABL1, MAP3K7, MAP3K5 EGFR 621/4885GAK 390/4885MAPK1 92/4885
US-20100240649-A1 QUINAZOLINE AND QUINOLINE DERIVATIVES AS IRREVERSIBLE PROTEIN TYROSINE KINASE INHIBITORS ABL1, MAP3K7, MAP3K5 EGFR 621/4885GAK 390/4885MAPK1 92/4885

“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.