SCHEMBL17538533

SCHEMBL17538533

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

nearest known ligand 0.87

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.87
ERBB2 P04626 7/20 0.87
KDR P35968 1/20 0.65
ERBB3 P21860 1/20 0.63
DUS2 Q9NX74 1/20 0.63

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
SCHEMBL17538540 1.00 EGFR (0.87) EGFRERBB2KDRERBB3DUS2
SCHEMBL19027162 0.93 EGFR (0.88) EGFRERBB2KDRERBB3DUS2
SCHEMBL17538532 0.93 EGFR (1.00) EGFRERBB2KDRERBB3DUS2
SCHEMBL17538534 0.93 EGFR (1.00) EGFRERBB2KDRERBB3DUS2
SCHEMBL21761366 0.92 EGFR (0.84) EGFRERBB2
SCHEMBL17538499 0.92 EGFR (0.85) EGFRERBB2KDRERBB3DUS2
SCHEMBL17538531 0.91 EGFR (0.84) EGFRERBB2KDRERBB3DUS2
SCHEMBL17538530 0.91 EGFR (0.84) EGFRERBB2KDRERBB3DUS2
SCHEMBL17538496 0.91 EGFR (0.86) EGFRERBB2KDRERBB3DUS2
SCHEMBL17538538 0.89 EGFR (1.00) EGFRERBB2ERBB3

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 18/4885KDR 133/4885
US-10196365-B2 Quinazoline derivative, preparation method therefor, and pharmaceutical composition and application thereof WEE1, WEE2, EGFR EGFR 3/4885ERBB2 18/4885KDR 133/4885

“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.