SCHEMBL14727992

SCHEMBL14727992

CNc1nc(-c2cccnc2)nc2ccc(-c3ccc(O)cc3)cc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.65
CYP3A4 P08684 2/20 0.65
CLK4 Q9HAZ1 2/20 0.65
CYP2D6 P10635 1/20 0.65
CYP2C9 P11712 1/20 0.65
CYP2C19 P33261 1/20 0.65
HSD17B10 Q99714 1/20 0.65
TRIM58 Q8NG06 1/20 0.52
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
POLB P06746 1/20 0.52
GAA P10253 1/20 0.52
KMT2A Q03164 1/20 0.52
MCL1 Q07820 1/20 0.52
PDE5A O76074 6/20 0.51
ABCG2 Q9UNQ0 2/20 0.48
CCNE2 O96020 2/20 0.48
CDK4 P11802 2/20 0.48
CCND1 P24385 2/20 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
SCHEMBL14475835 0.93 CYP1A2 (0.76) CYP1A2CYP3A4CLK4CYP2D6CYP2C9
SCHEMBL14475073 0.93 CYP1A2 (0.76) CYP1A2CYP3A4CLK4CYP2D6CYP2C9
SCHEMBL2154673 0.92 CYP1A2 (0.64) CYP1A2CYP3A4CLK4CYP2D6CYP2C9
SCHEMBL14359171 0.91 CYP1A2 (0.70) CYP1A2CYP3A4CLK4CYP2D6CYP2C9
SCHEMBL14475902 0.91 CYP1A2 (0.73) CYP1A2CYP3A4CLK4CYP2D6CYP2C9
SCHEMBL14475161 0.90 CYP1A2 (0.72) CYP1A2CYP3A4CLK4CYP2D6CYP2C9
SCHEMBL14474579 0.89 CYP1A2 (0.67) CYP1A2CYP3A4CLK4CYP2D6CYP2C9
SCHEMBL14474555 0.89 CYP1A2 (0.67) CYP1A2CYP3A4CLK4CYP2D6CYP2C9
SCHEMBL18023030 0.88 CYP1A2 (0.62) CYP1A2CYP3A4CLK4CYP2D6CYP2C9
SCHEMBL16183488 0.88 CYP1A2 (0.62) CYP1A2CYP3A4CLK4CYP2D6CYP2C9

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
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-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
CN-102883723-A Therapeutic compounds and related methods of use GALENEA CORP 2013-01-16 CN 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 (3 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 4815/4885CLK4 2170/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG CYP1A2 4619/4885CYP3A4 4805/4885CLK4 1339/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA CYP1A2 4552/4885CYP3A4 4815/4885CLK4 2170/4885

“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.