SCHEMBL14474580

SCHEMBL14474580

CC(C)(C)Nc1nc(-c2cccnc2)nc2ccc(-c3cc(F)ccc3F)cc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNE2 O96020 4/20 0.58
▸ CCNE1 P24864 4/20 0.58
▸ CDK2 P24941 4/20 0.58
▸ CDK4 P11802 3/20 0.58
▸ CCND1 P24385 3/20 0.58
▸ PDE5A O76074 6/20 0.54
▸ CYP1A2 P05177 3/20 0.49
▸ CYP3A4 P08684 3/20 0.49
▸ CYP2C19 P33261 2/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ TSHR P16473 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ ABCG2 Q9UNQ0 3/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ CLK1 P49759 1/20 0.47
▸ KMT2A Q03164 1/20 0.47

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
SCHEMBL2155510 0.92 CCNE2 (0.58) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL14475174 0.89 CYP1A2 (0.59) PDE5ACYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL2155519 0.87 CCNE2 (0.52) CCNE2CCNE1CDK2CDK4CCND1
Fumaric Acid SCHEMBL2155825 0.85 CCNE2 (0.51) CCNE2CCNE1CDK2CDK4CCND1
Fumaric Acid SCHEMBL2155826 0.85 CCNE2 (0.51) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL14731289 0.84 PDE5A (0.52) PDE5ACYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL16183677 0.83 MEN1 (0.69) PDE5ACYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL16184626 0.82 ABCG2 (0.42) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL14474637 0.81 PDE5A (0.69) PDE5ACYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL14359191 0.81 CYP1A2 (0.59) PDE5ACYP1A2CYP3A4CYP2C19HSD17B10

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
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 (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 CCNE2 4764/4885CCNE1 4621/4885CDK2 2853/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG CCNE2 4731/4885CCNE1 4535/4885CDK2 2904/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA CCNE2 4764/4885CCNE1 4621/4885CDK2 2853/4885
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP2CA, PPP4C, PPP3CB CCNE2 4641/4885CCNE1 4118/4885CDK2 2873/4885

“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.

Send feedback