SCHEMBL14475056

SCHEMBL14475056

CC(=O)c1cccc(-c2ccc3nc(-c4cccnc4)nc(N)c3c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 2/20 0.56
▸ KMO O15229 1/20 0.50
▸ RAB9A P51151 2/20 0.49
▸ ABCG2 Q9UNQ0 3/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ FYN P06241 1/20 0.45
▸ ADORA2A P29274 1/20 0.45
▸ ADORA1 P30542 1/20 0.45
▸ CLK4 Q9HAZ1 2/20 0.44
▸ MAP4K4 O95819 2/20 0.44
▸ HRH4 Q9H3N8 1/20 0.44
▸ CSNK1G2 P78368 1/20 0.44
▸ MKNK2 Q9HBH9 1/20 0.44
▸ MAP4K5 Q9Y4K4 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43

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
SCHEMBL14475063 0.92 RAB9A (0.55) DHFRRAB9AABCG2MAPTADORA2A
SCHEMBL14474608 0.84 CYP1A2 (0.60) KMORAB9AABCG2KDM4EMAPT
SCHEMBL14475037 0.83 MEN1 (0.59) ABCG2KDM4EMAPTADORA2AADORA1
SCHEMBL14475168 0.82 PIK3CA (0.49) ABCG2MAPTFYNADORA2AADORA1
SCHEMBL14474998 0.81 ABCG2 (0.55) ABCG2KDM4EMAPTADORA2AADORA1
SCHEMBL14475072 0.81 MAP4K4 (0.53) ABCG2MAPTADORA2AADORA1CLK4
SCHEMBL14727934 0.81 ABCG2 (0.61) RAB9AABCG2KDM4EMAPTCLK4
SCHEMBL18023076 0.80 POLB (0.49) DHFRABCG2FYNADORA2AADORA1
SCHEMBL14475050 0.80 CYP1A2 (0.54) RAB9AABCG2KDM4EMAPTADORA2A
SCHEMBL14475029 0.80 PDE5A (0.51) RAB9AABCG2KDM4EMAPTFYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 DHFR 2295/4885KMO 1420/4885RAB9A 1231/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG DHFR 2619/4885KMO 1911/4885RAB9A 1248/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA DHFR 2295/4885KMO 1420/4885RAB9A 1231/4885
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP2CA, PPP4C, PPP3CB DHFR 2703/4885KMO 518/4885RAB9A 1340/4885

“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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