SCHEMBL14727712

SCHEMBL14727712

Ic1ccc2nc(-c3cccnc3)nc(NCc3ccccn3)c2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 2/20 0.64
▸ KCNH2 Q12809 1/20 0.64
▸ PDE5A O76074 13/20 0.61
▸ GBA1 P04062 2/20 0.61
▸ ALDH1A1 P00352 3/20 0.57
▸ CYP1A2 P05177 3/20 0.57
▸ CYP3A4 P08684 3/20 0.57
▸ HSD17B10 Q99714 3/20 0.57
▸ MEN1 O00255 3/20 0.57
▸ KMT2A Q03164 3/20 0.57
▸ CYP2D6 P10635 2/20 0.56
▸ TSHR P16473 2/20 0.56
▸ MAPK1 P28482 2/20 0.56
▸ CYP2C19 P33261 2/20 0.56
▸ CLK4 Q9HAZ1 2/20 0.56
▸ USP2 O75604 1/20 0.56
▸ LMNA P02545 1/20 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
SCHEMBL16183653 0.90 GBA1 (0.77) KCNA5KCNH2PDE5AGBA1ALDH1A1
SCHEMBL16183711 0.89 KCNA5 (0.66) KCNA5KCNH2PDE5AGBA1ALDH1A1
SCHEMBL16183706 0.88 KCNA5 (0.65) KCNA5KCNH2PDE5AGBA1ALDH1A1
SCHEMBL16183924 0.88 PDE5A (0.77) KCNA5KCNH2PDE5AGBA1ALDH1A1
SCHEMBL16183928 0.88 PDE5A (0.77) KCNA5KCNH2PDE5AGBA1ALDH1A1
SCHEMBL7280438 0.87 PDE5A (0.76) PDE5AGBA1ALDH1A1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL7277349 0.86 PDE5A (0.77) PDE5AGBA1ALDH1A1CYP1A2CYP3A4
SCHEMBL14727690 0.86 PDE5A (0.59) KCNA5KCNH2PDE5AGBA1ALDH1A1
SCHEMBL16183708 0.86 PDE5A (0.68) KCNA5KCNH2PDE5AGBA1ALDH1A1
SCHEMBL16183935 0.85 PDE5A (0.67) KCNA5KCNH2PDE5AGBA1ALDH1A1

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 KCNA5 4200/4885KCNH2 4712/4885PDE5A 748/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG KCNA5 4207/4885KCNH2 4773/4885PDE5A 979/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA KCNA5 4200/4885KCNH2 4712/4885PDE5A 748/4885
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP2CA, PPP4C, PPP3CB KCNA5 4457/4885KCNH2 4620/4885PDE5A 704/4885

“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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