SCHEMBL1507585

SCHEMBL1507585

C#Cc1cccc(Nc2ncnc3cc(O)c(OCCOC)cc23)c1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.85
ERBB2 P04626 7/20 0.85
GAK O14976 3/20 0.85
KDR P35968 3/20 0.85
FLT1 P17948 2/20 0.85
ILK Q13418 2/20 0.85
RIPK2 O43353 2/20 0.85
BUB1 O43683 2/20 0.85
STK10 O94804 2/20 0.85
ABL1 P00519 2/20 0.85
LCK P06239 2/20 0.85
LYN P07948 2/20 0.85
RET P07949 2/20 0.85
SRC P12931 2/20 0.85
FGFR2 P21802 2/20 0.85
FECH P22830 2/20 0.85
FLT3 P36888 2/20 0.85
MAP3K1 Q13233 2/20 0.85
PLK4 O00444 1/20 0.85
CIT O14578 1/20 0.85

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
SCHEMBL4348479 0.96 EGFR (0.85) EGFRERBB2GAKKDRFLT1
SCHEMBL30052378 0.96 EGFR (0.85) EGFRERBB2GAKKDRFLT1
Hydrochloric Acid SCHEMBL1507512 0.95 EGFR (0.85) EGFRERBB2GAKKDRFLT1
Erlotinib SCHEMBL29120903 0.92 EGFR (0.96) EGFRERBB2GAKKDRFLT1
Erlotinib SCHEMBL8413 0.92 EGFR (1.00) EGFRERBB2GAKKDRFLT1
Erlotinib SCHEMBL29351329 0.92 EGFR (1.00) EGFRERBB2GAKKDRFLT1
Erlotinib SCHEMBL3667407 0.92 EGFR (1.00) EGFRERBB2GAKKDRFLT1
Erlotinib SCHEMBL30362833 0.92 EGFR (1.00) EGFRERBB2GAKKDRFLT1
Erlotinib SCHEMBL28471753 0.91 EGFR (0.94) EGFRERBB2GAKKDRFLT1
Erlotinib SCHEMBL16767632 0.91 EGFR (1.00) EGFRERBB2GAKKDRFLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111265668-A Composition comprising a histamine release-promoting substance and an inhibitory compound 黄泳华 2020-06-12 CN claimed
US-5747498-A Alkynyl and azido-substituted 4-anilinoquinazolines PFIZER INC. (US) 1998-05-05 US claimed
CN-111265668-A Composition comprising a histamine release-promoting substance and an inhibitory compound 黄泳华 2020-06-12 CN disclosed
EP-3103799-A1 QUINAZOLINE DERIVATIVES OSI Pharmaceuticals, LLC (US) 2016-12-14 EP disclosed
US-9452220-B2 Coupling compounds of NSAID anti-inflammatory and analgesic drugs and EGFR kinase inhibitors, synthesis methods and applications thereof GUANGZHOU INSTITUTES OF BIOMEDICINE AND HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2016-09-27 US disclosed
US-9452220-B2 Coupling compounds of NSAID anti-inflammatory and analgesic drugs and EGFR kinase inhibitors, synthesis methods and applications thereof GUANGZHOU INSTITUTES OF BIOMEDICINE AND HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2016-09-27 US disclosed
US-20160175453-A1 COUPLING COMPOUNDS OF NSAID ANTI-INFLAMMATORY AND ANALGESIC DRUGS AND EGFR KINASE INHIBITORS, SYNTHESIS METHODS AND APPLICATIONS THEREOF GUANGZHOU INSTITUTES OF BIOMEDICINE AND HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2016-06-23 US disclosed
US-20160175453-A1 COUPLING COMPOUNDS OF NSAID ANTI-INFLAMMATORY AND ANALGESIC DRUGS AND EGFR KINASE INHIBITORS, SYNTHESIS METHODS AND APPLICATIONS THEREOF GUANGZHOU INSTITUTES OF BIOMEDICINE AND HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2016-06-23 US disclosed
EP-2163546-B1 Quinazoline derivatives PFIZER PROD INC (US) 2016-06-01 EP disclosed
CN-103483275-B The coupling compound of NSAID class anti-inflammatory analgesic medicine and EGFR kinase inhibitor and synthetic method thereof and application GUANGZHOU INSTITUTES OF BIOMEDICINE AND HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2015-09-02 CN disclosed
CN-103483275-A Coupling compound of NSAID anti-inflammatory pain killers and EGFR kinase inhibitor and synthetic method and application of coupling compound GUANGZHOU INST BIOMED & HEALTH 2014-01-01 CN disclosed
EP-2295415-A1 Quinazoline derivatives OSI Pharmaceuticals, Inc. (US) 2011-03-16 EP disclosed
EP-2163546-A1 Quinazoline derivatives Pfizer Products Incorporated (US) 2010-03-17 EP disclosed
US-RE41065-E1 Alkynl and azido-substituted 4-anilinoquinazolines PFIZER, INC. (US) 2009-12-29 US disclosed
WO-2009070328-A1 MODULATORS OF THE EPIDERMAL GROWTH FACTOR RECEPTOR (EGFR) PATHWAY FOR USE IN THE TREATMENT OR PREVENTION OF SUBSTANCE ABUSE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-06-04 WO disclosed
EP-0817775-B1 QUINAZOLINE DERIVATIVES PFIZER (US) 2001-09-12 EP disclosed
EP-1110953-A1 Quinazoline derivatives PFIZER INC. (US) 2001-06-27 EP disclosed
US-5747498-A Alkynyl and azido-substituted 4-anilinoquinazolines PFIZER INC. (US) 1998-05-05 US disclosed
EP-0817775-A1 QUINAZOLINE DERIVATIVES PFIZER INC. (US) 1998-01-14 EP disclosed
WO-1996030347-A1 QUINAZOLINE DERIVATIVES PFIZER INC. (US) 1996-10-03 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 (1 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-20160175453-A1 COUPLING COMPOUNDS OF NSAID ANTI-INFLAMMATORY AND ANALGESIC DRUGS AND EGFR KINASE INHIBITORS, SYNTHESIS METHODS AND APPLICATIONS THEREOF EGFR, CHUK, ERBB2 EGFR 1/4885ERBB2 3/4885GAK 490/4885

“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.