SCHEMBL14727261

SCHEMBL14727261

NC(=O)c1ccccc1Nc1nc(-c2cccnc2)nc2ccc(OCc3ccc4c(c3)OCO4)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ GBA1 P04062 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ CYP2D6 P10635 2/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ CLK4 Q9HAZ1 1/20 0.43
▸ MAPK10 P53779 2/20 0.43
▸ MAPK8 P45983 1/20 0.43
▸ MAPK9 P45984 1/20 0.42
▸ ABCG2 Q9UNQ0 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPK1 P28482 2/20 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
SCHEMBL14474560 0.88 SIRT2 (0.48) MAPTKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL14475007 0.88 ABCG2 (0.44) MAPTNPSR1KDM4ECYP1A2CYP3A4
SCHEMBL14474537 0.88 SIRT2 (0.47) MAPTNPSR1KDM4ECYP1A2CYP3A4
SCHEMBL14727108 0.86 MAPT (0.52) MAPTNPSR1NPC1RAB9AGBA1
SCHEMBL14475023 0.84 ABCG2 (0.46) MAPTNPSR1GBA1KDM4ECYP1A2
SCHEMBL14475010 0.84 MAPK8 (0.46) MAPTKDM4EMAPK10MAPK8ABCG2
SCHEMBL14726046 0.83 ABCG2 (0.51) MAPTNPSR1KDM4ECYP1A2CYP3A4
SCHEMBL2156495 0.83 ABCG2 (0.48) MAPTNPSR1GBA1KDM4ECYP1A2
SCHEMBL14475087 0.82 PDE5A (0.48) MAPTNPSR1GBA1KDM4ECYP1A2
SCHEMBL2154791 0.82 MAPT (0.52) MAPTNPSR1GBA1KDM4ECYP1A2

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-9073890-B2 Therapeutic compounds and related methods of use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-07-07 — — 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

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 MAPT 519/4885NPSR1 162/4885NPC1 2700/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG MAPT 417/4885NPSR1 306/4885NPC1 2982/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA MAPT 519/4885NPSR1 162/4885NPC1 2700/4885
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP2CA, PPP4C, PPP3CB MAPT 509/4885NPSR1 455/4885NPC1 2208/4885

“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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