SCHEMBL14727690

SCHEMBL14727690

Cc1cccc(CNc2nc(-c3cccnc3)nc3ccc(I)cc23)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 12/20 0.59
▸ MEN1 O00255 5/20 0.57
▸ KMT2A Q03164 5/20 0.57
▸ ALDH1A1 P00352 5/20 0.57
▸ CYP1A2 P05177 5/20 0.57
▸ CYP3A4 P08684 5/20 0.57
▸ HSD17B10 Q99714 5/20 0.57
▸ CYP2D6 P10635 4/20 0.55
▸ TSHR P16473 4/20 0.55
▸ MAPK1 P28482 4/20 0.55
▸ CYP2C19 P33261 4/20 0.55
▸ USP2 O75604 3/20 0.55
▸ LMNA P02545 3/20 0.55
▸ MAPT P10636 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ HIF1A Q16665 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ CLK4 Q9HAZ1 3/20 0.52
▸ TP53 P04637 2/20 0.52
▸ GBA1 P04062 1/20 0.52

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
SCHEMBL14474636 0.86 PDE5A (0.63) PDE5AMEN1KMT2AALDH1A1CYP1A2
SCHEMBL14727712 0.86 KCNA5 (0.64) PDE5AMEN1KMT2AALDH1A1CYP1A2
SCHEMBL14474519 0.85 PDE5A (0.62) PDE5AMEN1KMT2AALDH1A1CYP1A2
SCHEMBL14474638 0.85 PDE5A (0.56) PDE5AMEN1KMT2AALDH1A1CYP1A2
SCHEMBL14727670 0.84 ALDH1A1 (0.57) PDE5AMEN1KMT2AALDH1A1CYP1A2
SCHEMBL14474634 0.83 PDE5A (0.56) PDE5AMEN1KMT2AALDH1A1CYP1A2
SCHEMBL7280438 0.83 PDE5A (0.76) PDE5AMEN1KMT2AALDH1A1CYP1A2
SCHEMBL14474640 0.82 PDE5A (0.53) PDE5AMEN1KMT2AALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL7277349 0.82 PDE5A (0.77) PDE5AMEN1KMT2AALDH1A1CYP1A2
SCHEMBL14474646 0.82 PDE5A (0.59) PDE5AMEN1KMT2AALDH1A1CYP1A2

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 8 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-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 PDE5A 748/4885MEN1 4790/4885KMT2A 1061/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG PDE5A 979/4885MEN1 4770/4885KMT2A 1377/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA PDE5A 748/4885MEN1 4790/4885KMT2A 1061/4885

“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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