SCHEMBL14475104

SCHEMBL14475104

N#Cc1ccccc1-c1ccc2nc(-c3cccnc3)nc(N)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.48
▸ CYP1A2 P05177 4/20 0.48
▸ CYP3A4 P08684 4/20 0.48
▸ HSD17B10 Q99714 4/20 0.48
▸ CLK4 Q9HAZ1 3/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ KDM4E B2RXH2 4/20 0.47
▸ GAA P10253 3/20 0.47
▸ GLA P06280 2/20 0.47
▸ ABCG2 Q9UNQ0 2/20 0.44
▸ ADORA2A P29274 3/20 0.44
▸ ADORA1 P30542 2/20 0.44
▸ IKBKB O14920 1/20 0.44
▸ HPGD P15428 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MAPK1 P28482 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ ALOX5AP P20292 1/20 0.42
▸ FEN1 P39748 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL14474559 0.84 CYP1A2 (0.61) ALDH1A1CYP1A2CYP3A4HSD17B10CLK4
SCHEMBL14474995 0.84 ALDH1A1 (0.61) ALDH1A1CYP1A2CYP3A4HSD17B10CLK4
SCHEMBL14475003 0.83 CYP11B2 (0.56) ALDH1A1CYP1A2CYP3A4HSD17B10CLK4
SCHEMBL14475206 0.83 MAP4K4 (0.53) ALDH1A1CYP1A2CYP3A4HSD17B10CLK4
SCHEMBL14727529 0.83 SMN1; SMN2 (0.49) ALDH1A1CYP1A2CYP3A4HSD17B10CLK4
SCHEMBL14727837 0.82 ABCG2 (0.56) ALDH1A1CYP1A2CYP3A4HSD17B10CLK4
SCHEMBL16184146 0.81 ALDH1A1 (0.59) ALDH1A1CYP1A2CYP3A4HSD17B10CLK4
SCHEMBL14475159 0.80 MAP4K4 (0.56) ALDH1A1CYP1A2CYP3A4HSD17B10CLK4
SCHEMBL14475085 0.79 WNT1 (0.45) ALDH1A1CYP1A2CYP3A4HSD17B10CLK4
SCHEMBL14475168 0.78 PIK3CA (0.49) ALDH1A1CYP1A2CYP3A4HSD17B10CLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3056207-B1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMA CO LTD (JP) 2018-06-20 — — EP disclosed
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-08-03 — — US disclosed
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-08-03 — — US disclosed
EP-3056207-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE Otsuka Pharmaceutical Co., Ltd. (JP) 2016-08-17 — — EP disclosed
US-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE GALENEA CORPORATION 2015-10-29 — — US disclosed
US-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE GALENEA CORPORATION 2015-10-29 — — US disclosed
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-10-23 — — US disclosed
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-10-23 — — US disclosed
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL COMPANY (JP) 2013-02-28 — — US disclosed
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL COMPANY (JP) 2013-02-28 — — US disclosed
WO-2013003586-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-03 — — 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 (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-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA ALDH1A1 2216/4885CYP1A2 4552/4885CYP3A4 4815/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG ALDH1A1 2732/4885CYP1A2 4619/4885CYP3A4 4805/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA ALDH1A1 2216/4885CYP1A2 4552/4885CYP3A4 4815/4885
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP2CA, PPP4C, PPP3CB ALDH1A1 1687/4885CYP1A2 2971/4885CYP3A4 4456/4885

“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.

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