SCHEMBL5675006

SCHEMBL5675006

O=[N+]([O-])c1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.75
ERBB2 P04626 4/20 0.75
KIT P10721 3/20 0.75
SRC P12931 3/20 0.75
ERBB3 P21860 3/20 0.75
ERBB4 Q15303 3/20 0.75
CIT O14578 2/20 0.75
GAK O14976 2/20 0.75
EPHB6 O15197 2/20 0.75
RIPK2 O43353 2/20 0.75
STK17B O94768 2/20 0.75
STK10 O94804 2/20 0.75
ABL1 P00519 2/20 0.75
LCK P06239 2/20 0.75
LYN P07948 2/20 0.75
RET P07949 2/20 0.75
MET P08581 2/20 0.75
HCK P08631 2/20 0.75
FGR P09769 2/20 0.75
EPHA1 P21709 2/20 0.75

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
SCHEMBL28447992 0.96 EGFR (0.74) EGFRERBB2KITSRCERBB3
SCHEMBL3590411 0.93 EGFR (0.71) EGFRERBB2KITSRCERBB3
SCHEMBL7002698 0.91 EGFR (0.74) EGFRERBB2KITSRCERBB3
SCHEMBL29577833 0.89 EGFR (0.92) EGFRERBB2KITSRCERBB3
SCHEMBL28713534 0.89 EGFR (0.92) EGFRERBB2KITSRCERBB3
SCHEMBL3581669 0.89 EGFR (0.68) EGFRERBB2KITSRCERBB3
SCHEMBL7003865 0.88 EGFR (0.70) EGFRERBB2KITSRCERBB3
SCHEMBL3243872 0.87 EGFR (0.61) EGFRERBB2KITSRCERBB3
SCHEMBL2252507 0.87 EGFR (0.83) EGFRERBB2
SCHEMBL31491114 0.87 EGFR (0.87) EGFRERBB2KITSRCERBB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110963972-A Quinazoline derivative, preparation method and pharmaceutical application thereof 苏州明锐医药科技有限公司 2020-04-07 CN claimed
EP-1265874-B1 METHOD FOR THE PRODUCTION OF (3-CHLORO-4-FLUOROPHENYL)-[7-(3-MORPHOLIN-4-YLPROPOXY)-6-NITROQUINAZOLIN-4-YL]-AMINE OR (3-CHLORO-4-FLUOROPHENYL)-[7-(3-MORPHOLIN-4-YL-PROPOXY)-6-AMINOQUINAZOLIN-4-YL]-AMINE GOEDECKE GMBH (DE) 2005-06-01 EP claimed
US-6664390-B2 Reacting 7-fluoro-6-nitroquinazolin-4(3H)-one with thionyl chloride, reacting product with 3-chloro-4-fluoroaniline and subsequently with 3-morpholin-4-yl-propan-1-ol in one pot, optionally hydrogenating product directly in reaction solution WARNER-LAMBERT COMPANY LLC 2003-12-16 US claimed
US-20030158408-A1 Method for the simplified production of (3-chloro-4-fluorophenyl)-[7-(3-morpholin-4-yl-propoxy)-6-nitro-quinazoline-4-yl]-amine or (3-chloro-4-fluorophenyl)-[7-(3-morpholin-4-yl-propoxy)-6-amino-quinazoline-4-yl]-amine ALLY BANK, AS AGENT 2003-08-21 US claimed
US-20030050313-A1 METHOD FOR THE SIMPLIFIED PRODUCTION OF (3-CHLORO-4-FLOUROPHENYL)-[7-(3-MORPHOLIN-4-YL-PROPOXY)-6-NITRO-QUINAZOLINE-4YL]-AMINE OR (3-CHLORO-4-FLUOROPHENYL)-[7-(3-MORPHOLIN-4-YL-PROPOXY)-6-AMINO-QUINAZOLINE-4-YL]-AMINE BARTH HUBERT (DE) 2003-03-13 US claimed
EP-1265874-A2 METHOD FOR THE SIMPLIFIED PRODUCTION OF (3-CHLORO-4-FLUORO-PHENYL)- 7-(3-MORPHOLINO-4-YL-PROPOXY)-6-NITRO-QUINAZOLINE-4-YL]-AMINE OR (3-CHLORO-4-FLUORO-PHENYL)- 7-(3-MORPHOLINO-4-YL-PROPOXY)-6-AMINO-QUINAZOLINE-4-YL]-AMINE GÖDECKE GMBH (DE) 2002-12-18 EP claimed
WO-2001062743-A2 METHOD FOR THE SIMPLIFIED PRODUCTION OF (3-CHLORO-4-FLUORO-PHENYL)-[7-(3-MORPHOLINO-4-YL-PROPOXY)-6-NITRO-QUINAZOLINE-4-YL]-AMINE OR (3-CHLORO-4-FLUORO-PHENYL)-[7-(3-MORPHOLINO-4-YL-PROPOXY)-6-AMINO-QUINAZOLINE-4-YL]-AMINE Gödecke GmbH (DE) 2001-08-30 WO claimed
US-9371292-B2 Quinazoline derivative, preparation method therefor, intermediate, composition and application thereof SHANGHAI PHARMACEUTICALS HOLDINGS CO., LTD. (CN) 2016-06-21 US disclosed
US-9371292-B2 Quinazoline derivative, preparation method therefor, intermediate, composition and application thereof SHANGHAI PHARMACEUTICALS HOLDINGS CO., LTD. (CN) 2016-06-21 US disclosed
US-9371292-B2 Quinazoline derivative, preparation method therefor, intermediate, composition and application thereof SHANGHAI PHARMACEUTICALS HOLDINGS CO., LTD. (CN) 2016-06-21 US disclosed
US-20140206687-A1 QUINAZOLINE DERIVATIVE, PREPARATION METHOD THEREFOR, INTERMEDIATE, COMPOSITION AND APPLICATION THEREOF ZHEJIANG UNIVERSITY (CN) 2014-07-24 US disclosed
US-20140206687-A1 QUINAZOLINE DERIVATIVE, PREPARATION METHOD THEREFOR, INTERMEDIATE, COMPOSITION AND APPLICATION THEREOF ZHEJIANG UNIVERSITY (CN) 2014-07-24 US disclosed
US-20140206687-A1 QUINAZOLINE DERIVATIVE, PREPARATION METHOD THEREFOR, INTERMEDIATE, COMPOSITION AND APPLICATION THEREOF ZHEJIANG UNIVERSITY (CN) 2014-07-24 US disclosed
WO-2001062743-A3 METHOD FOR THE SIMPLIFIED PRODUCTION OF (3-CHLORO-4-FLUORO-PHENYL)-[7-(3-MORPHOLINO-4-YL-PROPOXY)-6-NITRO-QUINAZOLINE-4-YL]-AMINE OR (3-CHLORO-4-FLUORO-PHENYL)-[7-(3-MORPHOLINO-4-YL-PROPOXY)-6-AMINO-QUINAZOLINE-4-YL]-AMINE GOEDECKE GMBH (DE) 2002-03-14 WO disclosed
US-6344455-B1 TREATING CANCER, ATHEROSCLEROSIS, RESTENOSIS, ENDOMETRIOSIS, AND PSORIASIS WARNER-LAMBERT COMPANY 2002-02-05 US disclosed
EP-1131304-A1 N- 4-(3-CHLORO-4-FLUORO-PHENYLAMINO)-7-(3-MORPHOLIN-4-YL-PROPOXY)-QUINAZOLIN-6-YL]-ACRYLAMIDE, AN IRREVERSIBLE INHIBITOR OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 2001-09-12 EP disclosed
WO-2001062743-A2 METHOD FOR THE SIMPLIFIED PRODUCTION OF (3-CHLORO-4-FLUORO-PHENYL)-[7-(3-MORPHOLINO-4-YL-PROPOXY)-6-NITRO-QUINAZOLINE-4-YL]-AMINE OR (3-CHLORO-4-FLUORO-PHENYL)-[7-(3-MORPHOLINO-4-YL-PROPOXY)-6-AMINO-QUINAZOLINE-4-YL]-AMINE Gödecke GmbH (DE) 2001-08-30 WO disclosed
WO-2001062743-A2 METHOD FOR THE SIMPLIFIED PRODUCTION OF (3-CHLORO-4-FLUORO-PHENYL)-[7-(3-MORPHOLINO-4-YL-PROPOXY)-6-NITRO-QUINAZOLINE-4-YL]-AMINE OR (3-CHLORO-4-FLUORO-PHENYL)-[7-(3-MORPHOLINO-4-YL-PROPOXY)-6-AMINO-QUINAZOLINE-4-YL]-AMINE Gödecke GmbH (DE) 2001-08-30 WO disclosed
WO-2001062743-A2 METHOD FOR THE SIMPLIFIED PRODUCTION OF (3-CHLORO-4-FLUORO-PHENYL)-[7-(3-MORPHOLINO-4-YL-PROPOXY)-6-NITRO-QUINAZOLINE-4-YL]-AMINE OR (3-CHLORO-4-FLUORO-PHENYL)-[7-(3-MORPHOLINO-4-YL-PROPOXY)-6-AMINO-QUINAZOLINE-4-YL]-AMINE Gödecke GmbH (DE) 2001-08-30 WO disclosed
WO-2000031048-A1 N-[4-(3-CHLORO-4-FLUORO-PHENYLAMINO)-7-(3-MORPHOLIN-4-YL-PROPOXY)-QUINAZOLIN-6-YL]-ACRYLAMIDE, AN IRREVERSIBLE INHIBITOR OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 2000-06-02 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-20030158408-A1 Method for the simplified production of (3-chloro-4-fluorophenyl)-[7-(3-morpholin-4-yl-propoxy)-6-nitro-quinazoline-4-yl]-amine or (3-chloro-4-fluorophenyl)-[7-(3-morpholin-4-yl-propoxy)-6-amino-quinazoline-4-yl]-amine MAP7, HTR7, ABL1 EGFR 2566/4885ERBB2 709/4885KIT 246/4885
US-20140206687-A1 QUINAZOLINE DERIVATIVE, PREPARATION METHOD THEREFOR, INTERMEDIATE, COMPOSITION AND APPLICATION THEREOF WEE1, WEE2, CYP4F11 EGFR 4406/4885ERBB2 4001/4885KIT 1095/4885
US-20030050313-A1 METHOD FOR THE SIMPLIFIED PRODUCTION OF (3-CHLORO-4-FLOUROPHENYL)-[7-(3-MORPHOLIN-4-YL-PROPOXY)-6-NITRO-QUINAZOLINE-4YL]-AMINE OR (3-CHLORO-4-FLUOROPHENYL)-[7-(3-MORPHOLIN-4-YL-PROPOXY)-6-AMINO-QUINAZOLINE-4-YL]-AMINE MAP7, PNMT, ABL1 EGFR 2178/4885ERBB2 457/4885KIT 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.