SCHEMBL14716747

SCHEMBL14716747

CNc1nc(-c2cccnc2)nc2c(C)cc(Br)cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 5/20 0.56
▸ CYP3A4 P08684 5/20 0.56
▸ CYP2C19 P33261 4/20 0.56
▸ HSD17B10 Q99714 4/20 0.56
▸ CLK4 Q9HAZ1 3/20 0.56
▸ CYP2D6 P10635 3/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ TSHR P16473 5/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MAPK1 P28482 4/20 0.42
▸ MAPT P10636 3/20 0.42
▸ HTT P42858 2/20 0.42
▸ PDE5A O76074 4/20 0.42
▸ LATS1 O95835 1/20 0.41
▸ LATS2 Q9NRM7 1/20 0.41
▸ LMNA P02545 4/20 0.41
▸ USP2 O75604 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ GBA1 P04062 5/20 0.41

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
SCHEMBL14358838 0.88 CYP1A2 (0.56) CYP1A2CYP3A4CYP2C19HSD17B10CLK4
SCHEMBL16183555 0.87 CYP1A2 (0.55) CYP1A2CYP3A4CYP2C19HSD17B10CLK4
SCHEMBL14359003 0.87 CYP1A2 (0.55) CYP1A2CYP3A4CYP2C19HSD17B10CLK4
SCHEMBL14359374 0.85 CYP1A2 (0.53) CYP1A2CYP3A4CYP2C19HSD17B10CLK4
SCHEMBL16183576 0.84 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C19HSD17B10CLK4
SCHEMBL2155189 0.82 SMN1; SMN2 (0.44) CYP1A2CYP3A4CYP2C19HSD17B10CLK4
SCHEMBL2155051 0.82 SMN1; SMN2 (0.44) CYP1A2CYP3A4CYP2C19HSD17B10CLK4
SCHEMBL18022981 0.82 CYP1A2 (0.53) CYP1A2CYP3A4CYP2C19HSD17B10CLK4
Hydrochloric Acid SCHEMBL2185529 0.81 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C19HSD17B10CLK4
SCHEMBL18023024 0.81 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C19HSD17B10CLK4

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 17 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
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
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-08-03 — — US disclosed
US-9630947-B2 Therapeutic compounds and related methods of use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-04-25 — — US disclosed
EP-3056207-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE Otsuka Pharmaceutical Co., Ltd. (JP) 2016-08-17 — — EP disclosed
EP-2521549-B1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMA CO LTD (JP) 2016-08-17 — — EP 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-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-9073890-B2 Therapeutic compounds and related methods of use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-07-07 — — 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
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 (3 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 CYP1A2 4552/4885CYP3A4 4815/4885CYP2C19 4818/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG CYP1A2 4619/4885CYP3A4 4805/4885CYP2C19 4822/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA CYP1A2 4552/4885CYP3A4 4815/4885CYP2C19 4818/4885

“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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