SCHEMBL14727668

SCHEMBL14727668

Brc1ccc2c(NCc3ccccn3)nc(-c3cccnc3)nc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 12/20 0.61
▸ GBA1 P04062 2/20 0.61
▸ KCNA5 P22460 1/20 0.61
▸ KCNH2 Q12809 1/20 0.61
▸ ALDH1A1 P00352 4/20 0.57
▸ CYP1A2 P05177 4/20 0.57
▸ CYP3A4 P08684 4/20 0.57
▸ HSD17B10 Q99714 4/20 0.57
▸ MEN1 O00255 4/20 0.57
▸ KMT2A Q03164 4/20 0.57
▸ CYP2D6 P10635 3/20 0.56
▸ TSHR P16473 3/20 0.56
▸ MAPK1 P28482 3/20 0.56
▸ CYP2C19 P33261 3/20 0.56
▸ CLK4 Q9HAZ1 2/20 0.56
▸ USP2 O75604 2/20 0.56
▸ LMNA P02545 2/20 0.56
▸ TP53 P04637 1/20 0.56
▸ PTGS1 P23219 1/20 0.56
▸ TBXAS1 P24557 1/20 0.56

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
SCHEMBL16183706 0.93 KCNA5 (0.65) PDE5AGBA1KCNA5KCNH2ALDH1A1
SCHEMBL16183659 0.90 GBA1 (0.77) PDE5AGBA1KCNA5KCNH2ALDH1A1
SCHEMBL16183717 0.88 PDE5A (0.66) PDE5AGBA1KCNA5KCNH2ALDH1A1
SCHEMBL16183925 0.88 PDE5A (0.64) PDE5AGBA1KCNA5KCNH2ALDH1A1
SCHEMBL14727670 0.86 ALDH1A1 (0.57) PDE5AGBA1KCNA5KCNH2ALDH1A1
SCHEMBL16183953 0.85 PDE5A (0.53) PDE5AGBA1KCNA5KCNH2ALDH1A1
SCHEMBL16183711 0.85 KCNA5 (0.66) PDE5AGBA1KCNA5KCNH2ALDH1A1
SCHEMBL16183941 0.85 MEN1 (0.62) PDE5AGBA1KCNA5KCNH2ALDH1A1
SCHEMBL16183936 0.85 PDE5A (0.58) PDE5AGBA1KCNA5KCNH2ALDH1A1
SCHEMBL16183942 0.84 MEN1 (0.63) PDE5AGBA1KCNA5KCNH2ALDH1A1

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
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

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 PDE5A 748/4885GBA1 304/4885KCNA5 4200/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG PDE5A 979/4885GBA1 853/4885KCNA5 4207/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA PDE5A 748/4885GBA1 304/4885KCNA5 4200/4885
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP2CA, PPP4C, PPP3CB PDE5A 704/4885GBA1 1316/4885KCNA5 4457/4885

“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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