SCHEMBL17538565

SCHEMBL17538565

CCOCCOc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1N

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.70
GAK O14976 1/20 0.70
ERBB2 P04626 14/20 0.67
ERBB4 Q15303 3/20 0.61
HDAC3 O15379 1/20 0.60
HDAC4 P56524 1/20 0.60
HDAC1 Q13547 1/20 0.60
HDAC7 Q8WUI4 1/20 0.60
HDAC2 Q92769 1/20 0.60
HDAC10 Q969S8 1/20 0.60
HDAC11 Q96DB2 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
HDAC9 Q9UKV0 1/20 0.60
HDAC5 Q9UQL6 1/20 0.60
ERBB3 P21860 1/20 0.57

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
SCHEMBL9910673 0.93 EGFR (0.76) EGFRGAKERBB2ERBB4ERBB3
SCHEMBL4865102 0.92 EGFR (0.75) EGFRGAKERBB2ERBB4HDAC3
SCHEMBL15928184 0.90 EGFR (0.72) EGFRGAKERBB2ERBB4HDAC3
SCHEMBL15928201 0.90 EGFR (0.72) EGFRGAKERBB2ERBB4HDAC3
SCHEMBL9910683 0.89 EGFR (0.74) EGFRGAKERBB2ERBB4HDAC3
SCHEMBL9910672 0.88 EGFR (0.86) EGFRGAKERBB2ERBB4HDAC3
SCHEMBL17538555 0.87 EGFR (0.66) EGFRGAKERBB2ERBB4HDAC3
SCHEMBL12093969 0.86 EGFR (0.75) EGFRGAKERBB2ERBB4ERBB3
SCHEMBL9910671 0.85 EGFR (0.75) EGFRGAKERBB2ERBB4ERBB3
SCHEMBL17538494 0.84 FBP1 (0.70) EGFRERBB2

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 8 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
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 3/4885GAK 1632/4885ERBB2 18/4885
US-10196365-B2 Quinazoline derivative, preparation method therefor, and pharmaceutical composition and application thereof WEE1, WEE2, EGFR EGFR 3/4885GAK 1632/4885ERBB2 18/4885

“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.