SCHEMBL3470108

SCHEMBL3470108

COCCOc1cc(N)c(C(=O)OC)cc1OCCOC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.65
ALDH1A1 P00352 5/20 0.47
GAA P10253 5/20 0.47
MAPT P10636 4/20 0.47
HSD17B10 Q99714 3/20 0.47
HPGD P15428 2/20 0.47
TSHR P16473 2/20 0.47
ALOX15 P16050 1/20 0.47
GLA P06280 2/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
ATM Q13315 1/20 0.46
ABL1 P00519 1/20 0.45
POLB P06746 1/20 0.44
CFTR P13569 4/20 0.43
HTT P42858 2/20 0.38
HSP90AA1 P07900 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38

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
SCHEMBL1012527 0.95 KDM4E (0.73) KDM4EALDH1A1GAAMAPTHSD17B10
SCHEMBL1012713 0.95 KDM4E (0.73) KDM4EALDH1A1GAAMAPTHSD17B10
SCHEMBL13028007 0.88 KDM4E (0.46) KDM4EALDH1A1GAAMAPTHSD17B10
SCHEMBL27122646 0.88 KDM4E (0.54) KDM4EALDH1A1GAAMAPTHSD17B10
SCHEMBL25037589 0.87 KDM4E (0.65) KDM4EALDH1A1GAAMAPTHSD17B10
SCHEMBL264389 0.86 KDM4E (0.47) KDM4EALDH1A1GAAMAPTHSD17B10
SCHEMBL263684 0.85 KDM4E (0.45) KDM4EALDH1A1GAAMAPTHSD17B10
SCHEMBL5052320 0.85 CYP3A4 (0.46) KDM4EALDH1A1MAPTTSHRPOLB
SCHEMBL15966727 0.85 KDM4E (0.45) KDM4EMAPTHTTHDAC3HDAC1
Hydrochloric Acid SCHEMBL27984823 0.85 KDM4E (0.46) KDM4EALDH1A1GAAMAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102311395-B Quinazoline ring substituted diphenylurea derivative and its purpose ZHANG AIHUA 2014-04-16 CN disclosed
US-8343950-B2 Cell surface tyrosine receptor kinase inhibitors; pyrogen-free; lung cancer; benign prostatic hyperplasia CONCERT PHARMACEUTICALS, INC. (US) 2013-01-01 US disclosed
CN-102746242-A Synthesis method of 6, 7-substituent-4-aniline quinazoline OMEGA CO LTD 2012-10-24 CN disclosed
CN-101863844-B Synthesis method of 6, 7-substituent-4-aniline quinazoline XIANGZHEN BIOLOGY TECHNOLOGY CO LTD 2012-10-03 CN disclosed
WO-2011147102-A1 SYNTHETIC METHOD FOR 6,7-SUBSTITUENTS-4-ANILINE QUINAZOLINE 翔真生物科技股份有限公司 (CN) 2011-12-01 WO disclosed
US-20100267949-A1 Method of Synthesizing 6,7-Substituted 4-Anilino Quinazoline OMEGA MEDICAL TAIWAN LIMITED (TW) 2010-10-21 US disclosed
CN-101863844-A Synthesis method of 6, 7-substituent-4-aniline quinazoline XIANGZHEN BIOLOGY TECHNOLOGY CO LTD 2010-10-20 CN disclosed
US-20080166358-A1 QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT CONCERT PHARMACEUTICALS INC. (US) 2008-07-10 US disclosed
WO-2008076949-A2 QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT CONCERT PHARMACEUTICALS INC. (US) 2008-06-26 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-20100267949-A1 Method of Synthesizing 6,7-Substituted 4-Anilino Quinazoline NQO2, ATIC, CYP3A7 KDM4E 2145/4885ALDH1A1 878/4885GAA 927/4885
US-20080166358-A1 QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT ABL1, FLT3, GRK5 KDM4E 2268/4885ALDH1A1 3767/4885GAA 794/4885

“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.