SCHEMBL14474579

SCHEMBL14474579

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.67
CYP3A4 P08684 3/20 0.67
CYP2C19 P33261 2/20 0.67
HSD17B10 Q99714 2/20 0.67
CLK4 Q9HAZ1 2/20 0.67
CYP2D6 P10635 1/20 0.67
CYP2C9 P11712 1/20 0.67
PDE5A O76074 6/20 0.60
MAPT P10636 3/20 0.58
TSHR P16473 2/20 0.58
KDM4E B2RXH2 2/20 0.58
MAPK1 P28482 2/20 0.58
HPGD P15428 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
MEN1 O00255 1/20 0.55
CLK1 P49759 1/20 0.55
KMT2A Q03164 1/20 0.55
ABCG2 Q9UNQ0 4/20 0.54
POLB P06746 1/20 0.54
TRIM58 Q8NG06 1/20 0.53

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
SCHEMBL14475073 0.94 CYP1A2 (0.76) CYP1A2CYP3A4CYP2C19HSD17B10CLK4
SCHEMBL14475835 0.94 CYP1A2 (0.76) CYP1A2CYP3A4CYP2C19HSD17B10CLK4
SCHEMBL14475130 0.93 CYP1A2 (0.64) CYP1A2CYP3A4CYP2C19HSD17B10CLK4
SCHEMBL14475068 0.93 CYP1A2 (0.64) CYP1A2CYP3A4CYP2C19HSD17B10CLK4
SCHEMBL14475902 0.92 CYP1A2 (0.73) CYP1A2CYP3A4CYP2C19HSD17B10CLK4
SCHEMBL14475161 0.91 CYP1A2 (0.72) CYP1A2CYP3A4CYP2C19HSD17B10CLK4
SCHEMBL14475910 0.91 CYP1A2 (0.56) CYP1A2CYP3A4CYP2C19HSD17B10CLK4
SCHEMBL14475891 0.91 CYP1A2 (0.64) CYP1A2CYP3A4CYP2C19HSD17B10CLK4
SCHEMBL16183596 0.91 CYP1A2 (0.64) CYP1A2CYP3A4CYP2C19HSD17B10CLK4
SCHEMBL14475859 0.90 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 12 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-9073890-B2 Therapeutic compounds and related methods of use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-07-07 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
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 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.