SCHEMBL17538538

SCHEMBL17538538

CCOCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 1.00
ERBB2 P04626 15/20 1.00
CIT O14578 1/20 0.69
GAK O14976 1/20 0.69
EPHB6 O15197 1/20 0.69
RIPK2 O43353 1/20 0.69
STK10 O94804 1/20 0.69
ABL1 P00519 1/20 0.69
LCK P06239 1/20 0.69
LYN P07948 1/20 0.69
RET P07949 1/20 0.69
CHRM2 P08172 1/20 0.69
MET P08581 1/20 0.69
HCK P08631 1/20 0.69
SRC P12931 1/20 0.69
PHKG2 P15735 1/20 0.69
ADRA2B P18089 1/20 0.69
ERBB3 P21860 1/20 0.69
AXL P30530 1/20 0.69
CCKAR P32238 1/20 0.69

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
SCHEMBL17538473 0.96 EGFR (1.00) EGFRERBB2CITGAKEPHB6
SCHEMBL20326252 0.94 EGFR (0.90) EGFRERBB2CITGAKEPHB6
SCHEMBL17538529 0.93 EGFR (1.00) EGFRERBB2ERBB4
SCHEMBL17538507 0.93 EGFR (0.87) EGFRERBB2
SCHEMBL19639014 0.93 EGFR (0.87) EGFRERBB2CITGAKEPHB6
SCHEMBL30101593 0.93 EGFR (0.87) EGFRERBB2CITGAKEPHB6
SCHEMBL17538486 0.92 EGFR (0.85) EGFRERBB2CITGAKEPHB6
SCHEMBL17538480 0.92 EGFR (0.85) EGFRERBB2
SCHEMBL17538474 0.91 EGFR (1.00) EGFRERBB2CITGAKEPHB6
SCHEMBL19100056 0.91 EGFR (0.89) EGFRERBB2CITGAKEPHB6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10196365-B2 Quinazoline derivative, preparation method therefor, and pharmaceutical composition and application thereof ARROMAX PHARMATECH CO., LTD. (CN) 2019-02-05 US disclosed
US-10196365-B2 Quinazoline derivative, preparation method therefor, and pharmaceutical composition and application thereof ARROMAX PHARMATECH CO., LTD. (CN) 2019-02-05 US disclosed
US-20170247339-A1 QUINAZOLINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF ARROMAX PHARMATECH CO., LTD. (CN) 2017-08-31 US disclosed
US-20170247339-A1 QUINAZOLINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF ARROMAX PHARMATECH CO., LTD. (CN) 2017-08-31 US disclosed
EP-3181553-A1 QUINAZOLINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF Arromax Pharmatech Co., Ltd. (CN) 2017-06-21 EP disclosed
EP-3181553-A1 QUINAZOLINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF Arromax Pharmatech Co., Ltd. (CN) 2017-06-21 EP disclosed
WO-2016023217-A1 QUINAZOLINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF 安润医药科技(苏州)有限公司 2016-02-18 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 (2 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-20170247339-A1 QUINAZOLINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF WEE1, WEE2, EGFR EGFR 3/4885ERBB2 18/4885CIT 577/4885
US-10196365-B2 Quinazoline derivative, preparation method therefor, and pharmaceutical composition and application thereof WEE1, WEE2, EGFR EGFR 3/4885ERBB2 18/4885CIT 577/4885

“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.