SCHEMBL14727634

SCHEMBL14727634

CNc1nc(-c2cccnc2)nc2ccc(-c3ccc(C(F)(F)F)cc3)cc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.61
CYP3A4 P08684 3/20 0.61
CYP2C19 P33261 2/20 0.61
HSD17B10 Q99714 2/20 0.61
CLK4 Q9HAZ1 2/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
CCNE2 O96020 2/20 0.56
CDK4 P11802 2/20 0.56
CCND1 P24385 2/20 0.56
CCNE1 P24864 2/20 0.56
CDK2 P24941 2/20 0.56
TRIM58 Q8NG06 1/20 0.52
PDE5A O76074 6/20 0.48
DGAT1 O75907 1/20 0.47
KCNH2 Q12809 1/20 0.47
LATS1 O95835 1/20 0.46
LATS2 Q9NRM7 1/20 0.46
ABCG2 Q9UNQ0 3/20 0.46
TSHR P16473 2/20 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
SCHEMBL14474614 0.92 CYP1A2 (0.60) CYP1A2CYP3A4CYP2C19HSD17B10CLK4
SCHEMBL14731291 0.90 CYP1A2 (0.60) CYP1A2CYP3A4CYP2C19HSD17B10CLK4
SCHEMBL14475835 0.90 CYP1A2 (0.76) CYP1A2CYP3A4CYP2C19HSD17B10CLK4
SCHEMBL14475073 0.90 CYP1A2 (0.76) CYP1A2CYP3A4CYP2C19HSD17B10CLK4
SCHEMBL16186293 0.89 CYP1A2 (0.56) CYP1A2CYP3A4CYP2C19HSD17B10CLK4
SCHEMBL14474579 0.89 CYP1A2 (0.67) CYP1A2CYP3A4CYP2C19HSD17B10CLK4
SCHEMBL14475902 0.88 CYP1A2 (0.73) CYP1A2CYP3A4CYP2C19HSD17B10CLK4
SCHEMBL16183504 0.88 CYP1A2 (0.55) CYP1A2CYP3A4CYP2C19HSD17B10CLK4
SCHEMBL14475161 0.87 CYP1A2 (0.72) CYP1A2CYP3A4CYP2C19HSD17B10CLK4
SCHEMBL14474555 0.86 CYP1A2 (0.67) CYP1A2CYP3A4CYP2C19HSD17B10CLK4

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 9 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-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 4815/4885CYP2C19 4818/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG CYP1A2 4619/4885CYP3A4 4805/4885CYP2C19 4822/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA CYP1A2 4552/4885CYP3A4 4815/4885CYP2C19 4818/4885
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP2CA, PPP4C, PPP3CB CYP1A2 2971/4885CYP3A4 4456/4885CYP2C19 3815/4885

“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.