SCHEMBL2533768

SCHEMBL2533768

COc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1[N+](=O)[O-]

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.79
GAK O14976 1/20 0.79
ERBB2 P04626 5/20 0.69
ERBB4 Q15303 1/20 0.69
HDAC3 O15379 1/20 0.65
HDAC4 P56524 1/20 0.65
HDAC1 Q13547 1/20 0.65
HDAC7 Q8WUI4 1/20 0.65
HDAC2 Q92769 1/20 0.65
HDAC10 Q969S8 1/20 0.65
HDAC11 Q96DB2 1/20 0.65
HDAC8 Q9BY41 1/20 0.65
HDAC6 Q9UBN7 1/20 0.65
HDAC9 Q9UKV0 1/20 0.65
HDAC5 Q9UQL6 1/20 0.65

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
SCHEMBL16212314 0.93 EGFR (0.70) EGFRGAKERBB2ERBB4
SCHEMBL2533904 0.92 EGFR (0.70) EGFRGAKERBB2ERBB4
SCHEMBL16212746 0.91 EGFR (0.69) EGFRGAKERBB2ERBB4
SCHEMBL29719074 0.91 EGFR (0.69) EGFRGAKERBB2ERBB4
SCHEMBL15928200 0.90 EGFR (0.67) EGFRGAKERBB2ERBB4HDAC3
SCHEMBL15928186 0.90 EGFR (0.67) EGFRGAKERBB2ERBB4HDAC3
SCHEMBL22983584 0.89 EGFR (0.67) EGFRGAKERBB2ERBB4
SCHEMBL29719131 0.89 EGFR (0.67) EGFRGAKERBB2ERBB4
SCHEMBL17538555 0.89 EGFR (0.66) EGFRGAKERBB2ERBB4HDAC3
SCHEMBL2509312 0.89 EGFR (1.00) EGFRGAKERBB2ERBB4HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10795469-B2 Laminate containing conductive fiber, photosensitive conductive film, method for producing conductive pattern, conductive pattern substrate, and touch panel HITACHI CHEMICAL COMPANY, LTD. (JP) 2020-10-06 US disclosed
CN-107556295-B Quinazoline derivatives and process for their preparation 正大天晴药业集团股份有限公司 2020-09-04 CN disclosed
EP-3050880-B1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF CANCER CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2019-06-19 EP disclosed
US-9725439-B2 Quinazoline derivative and preparation method therefor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2017-08-08 US disclosed
US-9556191-B2 Aminoquinazoline derivatives and their salts and methods of use thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-01-31 US disclosed
EP-3050880-A1 QUINAZOLINE DERIVATIVE AND PREPARATION METHOD THEREFOR Chia Tai Tianqing Pharmaceutical Group Co.,Ltd (CN) 2016-08-03 EP disclosed
US-20160216790-A1 LAMINATE CONTAINIG CONDUCTIVE FIBER, PHOTOSENSITIVE CONDUCTIVE FILM, METHOD FOR PRODUCING CONDUCTIVE PATTERN, CONDUCTIVE PATTERN SUBSTRATE, AND TOUCH PANEL RESONAC CORPORATION (JP) 2016-07-28 US disclosed
US-20160214964-A1 QUINAZOLINE DERIVATIVE AND PREPARATION METHOD THEREFOR CENTAURUS BIOPHARMA CO., LTD. (CN) 2016-07-28 US disclosed
US-20160039838-A1 AMINOQUINAZOLINE DERIVATIVES AND THEIR SALTS AND METHODS OF USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-02-11 US disclosed
WO-2014177038-A1 AMINOQUINAZOLINE DERIVATIVES AND THEIR SALTS AND METHODS OF USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2014-11-06 WO disclosed
US-8309563-B2 Quinazoline derivatives useful as anti-tumor medicament SHANGHAI ALLIST PHARMACEUTICALS, INC. (CN) 2012-11-13 US disclosed
US-8044063-B2 Quinazoline derivatives useful as anti-tumor medicament SHANGHAI ALLIST PHARMACEUTICALS, INC. (CN) 2011-10-25 US disclosed
US-20110245246-A1 Quinazoline Derivatives Useful as Anti-Tumor Medicament SHANGHAI ALLIST PHARMACEUTICALS, INC. (CN) 2011-10-06 US disclosed
EP-2248806-A2 Quinazoline derivatives as tyrosine kinase inhibitors Shanghai Allist Pharmaceuticals, Inc. (CN) 2010-11-10 EP disclosed
US-20080300248-A1 Quinazoline Derivatives, Preparation Methods and Uses Thereof SHANGHAI ALLIST PHARMACEUTICALS, INC. (CN) 2008-12-04 US disclosed
EP-1990337-A1 QUINAZOLINE DERIVATIVES,PREPARATION METHODS AND USES THEREOF SHANGHAI ALLIST PHARMACEUTICAL., INC. (CN) 2008-11-12 EP 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 (4 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-20160039838-A1 AMINOQUINAZOLINE DERIVATIVES AND THEIR SALTS AND METHODS OF USE THEREOF WNK1, ABL1, NEK4 EGFR 1223/4885GAK 205/4885ERBB2 368/4885
US-20160214964-A1 QUINAZOLINE DERIVATIVE AND PREPARATION METHOD THEREFOR WEE1, WEE2, EGFR EGFR 3/4885GAK 580/4885ERBB2 4/4885
US-20110245246-A1 Quinazoline Derivatives Useful as Anti-Tumor Medicament TP53, NQO2, TOP1 EGFR 3303/4885GAK 1610/4885ERBB2 3151/4885
US-20080300248-A1 Quinazoline Derivatives, Preparation Methods and Uses Thereof NQO2, AQP3, AQP1 EGFR 2954/4885GAK 1241/4885ERBB2 2993/4885

“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.