SCHEMBL14727806

SCHEMBL14727806

CNc1nc(-c2ccc(F)nc2)nc2ccc(-c3ccc(F)cc3F)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 4/20 0.40
▸ CYP1A2 P05177 9/20 0.39
▸ CYP3A4 P08684 7/20 0.39
▸ CYP2D6 P10635 6/20 0.39
▸ CYP2C19 P33261 6/20 0.39
▸ HSD17B10 Q99714 6/20 0.39
▸ CLK4 Q9HAZ1 4/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ MAPK1 P28482 4/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ LMNA P02545 3/20 0.39
▸ TDP1 Q9NUW8 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ TRIM58 Q8NG06 1/20 0.39
▸ TSHR P16473 4/20 0.39
▸ CYP1A1 P04798 2/20 0.38
▸ FEN1 P39748 1/20 0.37
▸ FGFR1 P11362 1/20 0.37
▸ ALOX15 P16050 2/20 0.37

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
SCHEMBL14727816 0.90 GBA1 (0.42) PDE5ACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL14474569 0.87 PDE5A (0.41) PDE5ACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL14475213 0.86 CYP1A2 (0.59) PDE5ACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL14475060 0.85 LATS1 (0.51) PDE5ACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL14727813 0.84 CYP1A2 (0.42) CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10
SCHEMBL16183460 0.83 CYP1A2 (0.40) PDE5ACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL14475187 0.83 FEN1 (0.43) PDE5ACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL17212417 0.81 AURKA (0.52) PDE5ACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL14474140 0.81 LMNA (0.45) PDE5ACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL14727814 0.81 DHODH (0.43) PDE5ACYP1A2CYP3A4CYP2D6CYP2C19

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
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 748/4885CYP1A2 4552/4885CYP3A4 4815/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG PDE5A 979/4885CYP1A2 4619/4885CYP3A4 4805/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA PDE5A 748/4885CYP1A2 4552/4885CYP3A4 4815/4885
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP2CA, PPP4C, PPP3CB PDE5A 704/4885CYP1A2 2971/4885CYP3A4 4456/4885

“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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