SCHEMBL14727108

SCHEMBL14727108

NC(=O)c1ccccc1Nc1nc(-c2cccnc2)nc2ccc(-c3ccc4c(c3)OCO4)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ CYP1A2 P05177 7/20 0.50
▸ CYP3A4 P08684 7/20 0.50
▸ CYP2D6 P10635 6/20 0.50
▸ CYP2C19 P33261 5/20 0.50
▸ HSD17B10 Q99714 5/20 0.50
▸ MAPK1 P28482 5/20 0.50
▸ ALDH1A1 P00352 5/20 0.50
▸ TSHR P16473 5/20 0.50
▸ KDM4E B2RXH2 4/20 0.50
▸ CYP2C9 P11712 3/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ LMNA P02545 3/20 0.50
▸ TP53 P04637 2/20 0.50
▸ HPGD P15428 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ CLK4 Q9HAZ1 6/20 0.48
▸ USP2 O75604 4/20 0.48

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
SCHEMBL14475528 0.90 L3MBTL1 (0.51) MAPTCYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL14474905 0.90 L3MBTL1 (0.51) MAPTCYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL14474918 0.87 L3MBTL1 (0.48) MAPTCYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL14475534 0.87 L3MBTL1 (0.48) MAPTCYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL14727261 0.86 MAPT (0.53) MAPTNPSR1CYP1A2CYP3A4CYP2D6
SCHEMBL14474895 0.86 BRAF (0.50) MAPTCYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL14475510 0.84 MCL1 (0.51) MAPTCYP1A2CYP3A4ALDH1A1TSHR
SCHEMBL14475416 0.84 RXFP1 (0.61) MAPTNPSR1CYP1A2CYP3A4CYP2C19
SCHEMBL16183257 0.84 PDE5A (0.59) MAPTCYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL2154571 0.84 MAPT (0.50) MAPTCYP1A2CYP3A4CYP2C19HSD17B10

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 162/4885CYP1A2 4552/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG MAPT 417/4885NPSR1 306/4885CYP1A2 4619/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA MAPT 519/4885NPSR1 162/4885CYP1A2 4552/4885
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP2CA, PPP4C, PPP3CB MAPT 509/4885NPSR1 455/4885CYP1A2 2971/4885

“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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