SCHEMBL1734677

SCHEMBL1734677

Fc1ccc(Nc2ncnc3ccc(I)cc23)cc1Cl

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.75
CD38 P28907 1/20 0.65
GRM1 Q13255 1/20 0.65
ERBB2 P04626 3/20 0.63
FBP1 P09467 2/20 0.63
AURKA O14965 1/20 0.63
INSR P06213 1/20 0.63
PDGFRB P09619 1/20 0.63
FLT4 P35916 1/20 0.63
KDR P35968 1/20 0.63
CLK1 P49759 1/20 0.63
EPHB4 P54760 1/20 0.63
TEK Q02763 1/20 0.63
AURKB Q96GD4 1/20 0.63
ERBB4 Q15303 1/20 0.60
RAF1 P04049 1/20 0.59
BRAF P15056 1/20 0.59

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
SCHEMBL29923578 0.86 EGFR (1.00) EGFRCD38GRM1ERBB2FBP1
SCHEMBL31299934 0.86 EGFR (1.00) EGFRCD38GRM1ERBB2FBP1
SCHEMBL6188729 0.86 EGFR (0.77) EGFRCD38GRM1ERBB2FBP1
SCHEMBL2991833 0.86 EGFR (1.00) EGFRCD38GRM1ERBB2FBP1
SCHEMBL28471823 0.85 KDM4E (0.72) EGFRCD38GRM1ERBB2KDR
SCHEMBL3004196 0.85 EGFR (0.54) EGFRCD38ERBB2KDRRAF1
Hydrochloric Acid SCHEMBL6190330 0.85 EGFR (0.75) EGFRCD38GRM1ERBB2FBP1
SCHEMBL21083167 0.85 EGFR (0.75) EGFRCD38GRM1ERBB2FBP1
SCHEMBL641359 0.85 EGFR (0.75) EGFRCD38GRM1ERBB2FBP1
Hydrochloric Acid SCHEMBL7764930 0.85 EGFR (0.97) EGFRCD38GRM1ERBB2FBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106317026-A Compounds capable of inhibiting ErbB/HDAC and preparation method thereof, and pharmaceutical composition comprising compounds and application thereof 清华大学深圳研究生院 2017-01-11 CN disclosed
US-9499530-B2 Quinazoline derivative, composition having the derivative, and use of the derivative in preparing medicament HANGZHOU MINSHENG INSTITUTES FOR PHARMA RESEARCH (CN) 2016-11-22 US disclosed
US-20150080392-A1 QUINAZOLINE DERIVATIVE, COMPOSITION HAVING THE DERIVATIVE, AND USE OF THE DERIVATIVE IN PREPARING MEDICAMENT HANGZHOU MINSHENG PHARMACEUTICAL CO. LTD (CN) 2015-03-19 US disclosed
EP-2740729-A1 QUINAZOLINE DERIVATIVE, COMPOSITION HAVING THE DERIVATIVE, AND USE OF THE DERIVATIVE IN PREPARING MEDICAMENT Hangzhou Minsheng Institutes for Pharma Research (CN) 2014-06-11 EP disclosed
WO-2014063631-A1 TYROSINE KINASE IRREVERSIBLE INHIBITOR AND PREPARATION METHOD AND APPLICATIONS THEREOF ZHANG JIANCUN (CN) 2014-05-01 WO disclosed
CN-101367794-B Preparation method for quinazoline derivants and medical uses thereof SHANGHAI HENGRUI PHARM CO LTD 2013-07-10 CN disclosed
CN-102911163-A Quinazoline derivatives, composition containing derivatives and pharmaceutical application of derivatives Hangzhou minsheng pharmaceutical co ltd 2013-02-06 CN disclosed
US-8318932-B2 Process for producing 4-aminoquinazoline compound UBE INDUSTRIES, LTD. (JP) 2012-11-27 US disclosed
EP-1481971-B1 PROCESS FOR PRODUCING 4-AMINOQUINAZOLINE COMPOUND UBE INDUSTRIES (JP) 2011-11-16 EP disclosed
WO-2011131610-A1 HEAT TRANSFER MEDIUM BASED ON SULPHUR AND USE OF THE HEAT TRANSFER MEDIUM SIEMENS AKTIENGESELLSCHAFT (DE) 2011-10-27 WO disclosed
CN-102153544-A Preparation method and application of novel tyrosine kinase inhibitors SHANGHAI SUN SAIL PHARMACEUTICAL SCIENCE & TECHNOLOGY CO LTD 2011-08-17 CN disclosed
US-20090171083-A1 PROCESS FOR PRODUCING 4-AMINOQUINAZOLINE COMPOUND UBE INDUSTRIES, LTD. (JP) 2009-07-02 US disclosed
CN-101367794-A Preparation method for quinazoline derivants and medical uses thereof SHANGHAI HENGRUI PHARM CO LTD (CN) 2009-02-18 CN disclosed
US-20080177069-A1 PROCESS FOR PRODUCING 4-AMINOQUINAZOLINE COMPOUND UBE INDUSTRIES, LTD. (JP) 2008-07-24 US disclosed
US-20050130995-A1 Chlorinating quinazolin-4-one in solvent in presence of a base; then reacting with an amine compound UBE INDUSTRIES, LTD. (JP) 2005-06-16 US disclosed
EP-1481971-A1 PROCESS FOR PRODUCING 4-AMINOQUINAZOLINE COMPOUND Ube Industries, Ltd. (JP) 2004-12-01 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 (4 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-20090171083-A1 PROCESS FOR PRODUCING 4-AMINOQUINAZOLINE COMPOUND HRH4, CYP3A4, HRH3 EGFR 1101/4885CD38 3171/4885GRM1 1237/4885
US-20150080392-A1 QUINAZOLINE DERIVATIVE, COMPOSITION HAVING THE DERIVATIVE, AND USE OF THE DERIVATIVE IN PREPARING MEDICAMENT LCK, ZAP70, FYN EGFR 24/4885CD38 4460/4885GRM1 2701/4885
US-20080177069-A1 PROCESS FOR PRODUCING 4-AMINOQUINAZOLINE COMPOUND HRH4, CYP3A4, HRH3 EGFR 1101/4885CD38 3171/4885GRM1 1237/4885
US-20050130995-A1 Chlorinating quinazolin-4-one in solvent in presence of a base; then reacting with an amine compound HRH4, HRH3, H1-4 EGFR 543/4885CD38 3243/4885GRM1 602/4885

“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.