SCHEMBL14727824

SCHEMBL14727824

CCNc1nc(-c2cccnc2)nc2ccc(-c3cccc(F)c3F)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 10/20 0.54
▸ USP1 O94782 1/20 0.51
▸ WDR48 Q8TAF3 1/20 0.51
▸ GBA1 P04062 4/20 0.48
▸ POLB P06746 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ LMNA P02545 3/20 0.48
▸ CYP1A2 P05177 3/20 0.48
▸ CYP3A4 P08684 3/20 0.48
▸ CYP2D6 P10635 3/20 0.48
▸ TSHR P16473 3/20 0.48
▸ MAPK1 P28482 3/20 0.48
▸ CYP2C19 P33261 3/20 0.48
▸ HSD17B10 Q99714 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ USP2 O75604 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ HIF1A Q16665 1/20 0.48

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
SCHEMBL16183743 0.89 PDE5A (0.53) PDE5AUSP1WDR48GBA1POLB
SCHEMBL14475170 0.89 CYP1A2 (0.59) PDE5AUSP1WDR48GBA1POLB
SCHEMBL14727595 0.88 CYP1A2 (0.55) PDE5AUSP1WDR48GBA1ALDH1A1
SCHEMBL14474640 0.86 PDE5A (0.53) PDE5AUSP1WDR48GBA1POLB
SCHEMBL14727823 0.86 PDE5A (0.62) PDE5AUSP1WDR48GBA1POLB
SCHEMBL16183693 0.86 PDE5A (0.60) PDE5AUSP1WDR48GBA1POLB
SCHEMBL16183734 0.85 PDE5A (0.64) PDE5AGBA1POLBALDH1A1LMNA
SCHEMBL14475573 0.85 PDE5A (0.61) PDE5AGBA1ALDH1A1LMNACYP1A2
SCHEMBL14475879 0.84 WNT1 (0.48) PDE5AUSP1WDR48ALDH1A1LMNA
SCHEMBL16183765 0.84 PDE5A (0.51) PDE5AUSP1WDR48GBA1POLB

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 748/4885USP1 2225/4885WDR48 2296/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG PDE5A 979/4885USP1 2128/4885WDR48 2713/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA PDE5A 748/4885USP1 2225/4885WDR48 2296/4885
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP2CA, PPP4C, PPP3CB PDE5A 704/4885USP1 2108/4885WDR48 2436/4885

“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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