SCHEMBL14727595

SCHEMBL14727595

COCCNc1nc(-c2cccnc2)nc2ccc(-c3cccc(F)c3F)cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.55
▸ CYP3A4 P08684 3/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ LMNA P02545 2/20 0.55
▸ HSD17B10 Q99714 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ HIF1A Q16665 1/20 0.55
▸ CLK4 Q9HAZ1 1/20 0.55
▸ GBA1 P04062 9/20 0.53
▸ PDE5A O76074 5/20 0.50
▸ CYP2D6 P10635 2/20 0.48
▸ ALOX15 P16050 2/20 0.48
▸ TSHR P16473 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ USP1 O94782 1/20 0.47
▸ WDR48 Q8TAF3 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ USP2 O75604 1/20 0.46

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) ALDH1A1LMNAGBA1PDE5AUSP1
SCHEMBL14727824 0.88 PDE5A (0.54) CYP1A2CYP3A4ALDH1A1LMNAHSD17B10
SCHEMBL14727599 0.87 PDE5A (0.57) CYP1A2CYP3A4ALDH1A1LMNAHSD17B10
SCHEMBL16183747 0.87 CYP1A2 (0.61) CYP1A2CYP3A4ALDH1A1LMNAHSD17B10
SCHEMBL16184559 0.85 GBA1 (0.44) CYP1A2CYP3A4ALDH1A1LMNAHSD17B10
SCHEMBL14475170 0.85 CYP1A2 (0.59) CYP1A2CYP3A4ALDH1A1LMNAHSD17B10
SCHEMBL14727601 0.84 PDE5A (0.55) CYP1A2CYP3A4ALDH1A1LMNAHSD17B10
SCHEMBL16183741 0.83 GBA1 (0.59) CYP1A2CYP3A4ALDH1A1LMNAHSD17B10
SCHEMBL16183764 0.82 GBA1 (0.51) ALDH1A1LMNAGBA1PDE5AUSP1
SCHEMBL14474640 0.82 PDE5A (0.53) CYP1A2CYP3A4ALDH1A1LMNAHSD17B10

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 CYP1A2 4552/4885CYP3A4 4815/4885ALDH1A1 2216/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG CYP1A2 4619/4885CYP3A4 4805/4885ALDH1A1 2732/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA CYP1A2 4552/4885CYP3A4 4815/4885ALDH1A1 2216/4885
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP2CA, PPP4C, PPP3CB CYP1A2 2971/4885CYP3A4 4456/4885ALDH1A1 1687/4885

“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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