SCHEMBL6994526

SCHEMBL6994526

COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1N

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.69
ERBB2 P04626 3/20 0.69
FBP1 P09467 2/20 0.69
AURKA O14965 1/20 0.69
INSR P06213 1/20 0.69
PDGFRB P09619 1/20 0.69
FLT4 P35916 1/20 0.69
KDR P35968 1/20 0.69
CLK1 P49759 1/20 0.69
EPHB4 P54760 1/20 0.69
TEK Q02763 1/20 0.69
AURKB Q96GD4 1/20 0.69
HDAC3 O15379 3/20 0.67
HDAC4 P56524 3/20 0.67
HDAC1 Q13547 3/20 0.67
HDAC7 Q8WUI4 3/20 0.67
HDAC2 Q92769 3/20 0.67
HDAC10 Q969S8 3/20 0.67
HDAC11 Q96DB2 3/20 0.67
HDAC8 Q9BY41 3/20 0.67

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
SCHEMBL17538489 0.95 EGFR (0.68) EGFRERBB2FBP1AURKAINSR
Hydrochloric Acid SCHEMBL18979162 0.94 EGFR (0.67) EGFRERBB2FBP1AURKAINSR
SCHEMBL26350 0.92 FBP1 (0.72) EGFRERBB2FBP1AURKAINSR
SCHEMBL22338174 0.92 EGFR (0.80) EGFRERBB2FBP1AURKAINSR
SCHEMBL17538494 0.90 FBP1 (0.70) EGFRERBB2FBP1AURKAINSR
SCHEMBL17538554 0.90 FBP1 (0.67) EGFRERBB2FBP1AURKAINSR
SCHEMBL15928080 0.90 FBP1 (0.66) EGFRERBB2FBP1AURKAINSR
SCHEMBL15928219 0.90 FBP1 (0.66) EGFRERBB2FBP1AURKAINSR
SCHEMBL24377 0.90 EGFR (0.66) EGFRERBB2FBP1AURKAINSR
SCHEMBL17538563 0.89 EGFR (0.63) EGFRERBB2FBP1AURKAINSR

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9840494-B2 Quinazoline derivative TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2017-12-12 US disclosed
EP-2479174-B1 6-AMINO QUINAZOLINE OR 3-CYANO QUINOLINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF JIANGSU HENGRUI MEDICINE CO (CN) 2017-10-18 EP disclosed
EP-2479174-B1 6-AMINO QUINAZOLINE OR 3-CYANO QUINOLINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF JIANGSU HENGRUI MEDICINE CO (CN) 2017-10-18 EP disclosed
US-9358227-B2 Pharmaceutical uses of 6-amino quinazoline or 3-cyano quinoline derivatives JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2016-06-07 US disclosed
US-9358227-B2 Pharmaceutical uses of 6-amino quinazoline or 3-cyano quinoline derivatives JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2016-06-07 US disclosed
US-9358227-B2 Pharmaceutical uses of 6-amino quinazoline or 3-cyano quinoline derivatives JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2016-06-07 US disclosed
WO-2015085654-A1 QUINAZOLINE DERIVATIVE 天津合美医药科技有限公司 2015-06-18 WO disclosed
US-20150126550-A1 PHARMACEUTICAL USES OF 6-AMINO QUINAZOLINE OR 3-CYANO QUINOLINE DERIVATIVES SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2015-05-07 US disclosed
US-20150126550-A1 PHARMACEUTICAL USES OF 6-AMINO QUINAZOLINE OR 3-CYANO QUINOLINE DERIVATIVES SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2015-05-07 US disclosed
US-20150126550-A1 PHARMACEUTICAL USES OF 6-AMINO QUINAZOLINE OR 3-CYANO QUINOLINE DERIVATIVES SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2015-05-07 US disclosed
US-8901140-B2 6-amino quinazoline or 3-cyano quinoline derivatives, preparation methods and pharmaceutical uses thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2014-12-02 US disclosed
US-8901140-B2 6-amino quinazoline or 3-cyano quinoline derivatives, preparation methods and pharmaceutical uses thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2014-12-02 US disclosed
EP-2479174-A1 6-AMINO QUINAZOLINE OR 3-CYANO QUINOLINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2012-07-25 EP disclosed
EP-2479174-A1 6-AMINO QUINAZOLINE OR 3-CYANO QUINOLINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2012-07-25 EP disclosed
US-20120165352-A1 6-AMINO QUINAZOLINE OR 3-CYANO QUINOLINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2012-06-28 US disclosed
US-20120165352-A1 6-AMINO QUINAZOLINE OR 3-CYANO QUINOLINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2012-06-28 US disclosed
US-6653305-B2 For therapy of tumoral diseases, diseases of the lungs and respiratory tract BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-11-25 US disclosed
EP-1315717-A1 QUINAZOLINE DERIVATIVES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE, AND METHODS FOR THE PRODUCTION THEREOF Boehringer Ingelheim Pharma KG (DE) 2003-06-04 EP disclosed
US-20020077330-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-06-20 US disclosed
WO-2002018373-A1 QUINAZOLINE DERIVATIVES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE, AND METHODS FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-03-07 WO 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-20020077330-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NR3C2, CYP11B2 EGFR 417/4885ERBB2 545/4885FBP1 1771/4885
US-20120165352-A1 6-AMINO QUINAZOLINE OR 3-CYANO QUINOLINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF CSNK1G3, CSNK1A1, CSNK1A1L EGFR 3299/4885ERBB2 851/4885FBP1 1316/4885
US-20150126550-A1 PHARMACEUTICAL USES OF 6-AMINO QUINAZOLINE OR 3-CYANO QUINOLINE DERIVATIVES PYGL, CSNK1G3, G6PD EGFR 2980/4885ERBB2 901/4885FBP1 876/4885

“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.