SCHEMBL14475092

SCHEMBL14475092

NC(=O)C(F)(F)CNc1nc(-c2cccnc2)nc2ccc(-c3ccc(F)cc3F)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 11/20 0.54
▸ POLB P06746 1/20 0.46
▸ GBA1 P04062 2/20 0.45
▸ CYP1A2 P05177 3/20 0.43
▸ CYP3A4 P08684 3/20 0.43
▸ TSHR P16473 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ CLK4 Q9HAZ1 2/20 0.42
▸ ABCG2 Q9UNQ0 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ USP1 O94782 2/20 0.41
▸ WDR48 Q8TAF3 2/20 0.41
▸ MEN1 O00255 1/20 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
SCHEMBL16183289 0.91 PDE5A (0.43) PDE5APOLBHPGDKDM4EMAPT
SCHEMBL14475031 0.91 PDE5A (0.53) PDE5APOLBGBA1CYP1A2CYP3A4
SCHEMBL14475219 0.89 PDE5A (0.60) PDE5APOLBGBA1CYP1A2CYP3A4
SCHEMBL20273693 0.86 PDE5A (0.54) PDE5APOLBGBA1CYP1A2CYP3A4
SCHEMBL16184579 0.84 DYRK1A (0.41) PDE5APOLBCYP1A2CYP3A4TSHR
SCHEMBL14727823 0.83 PDE5A (0.62) PDE5APOLBGBA1CYP1A2CYP3A4
SCHEMBL14474100 0.82 PDE5A (0.61) PDE5APOLBGBA1CYP1A2CYP3A4
SCHEMBL14474908 0.80 PDE5A (0.50) PDE5APOLBCYP1A2CYP3A4TSHR
SCHEMBL14475213 0.80 CYP1A2 (0.59) PDE5APOLBGBA1CYP1A2CYP3A4
SCHEMBL2155510 0.79 CCNE2 (0.58) PDE5APOLBGBA1CYP1A2CYP3A4

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
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
WO-2013003586-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-03 — — WO 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 748/4885POLB 4315/4885GBA1 304/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG PDE5A 979/4885POLB 4269/4885GBA1 853/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA PDE5A 748/4885POLB 4315/4885GBA1 304/4885

“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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