SCHEMBL14474124

SCHEMBL14474124

CNc1nc(-c2cncc(OC)c2)nc2ccc(-c3cccc(OC)c3)cc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 9/20 0.62
CYP3A4 P08684 9/20 0.62
CYP2C19 P33261 8/20 0.62
CYP2D6 P10635 7/20 0.62
LMNA P02545 6/20 0.62
CLK4 Q9HAZ1 6/20 0.62
USP2 O75604 5/20 0.62
HSD17B10 Q99714 5/20 0.62
CYP2C9 P11712 5/20 0.62
ALDH1A1 P00352 3/20 0.62
SYK P43405 1/20 0.53
ABCG2 Q9UNQ0 5/20 0.53
MAPK1 P28482 5/20 0.50
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
ABCB1 P08183 2/20 0.50
TP53 P04637 2/20 0.50
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL2155882 0.91 CYP1A2 (0.65) CYP1A2CYP3A4CYP2C19CYP2D6LMNA
SCHEMBL2154983 0.90 ABCG2 (0.65) CYP1A2CYP3A4CYP2C19CYP2D6LMNA
SCHEMBL14474067 0.89 CYP1A2 (0.60) CYP1A2CYP3A4CYP2C19CYP2D6LMNA
SCHEMBL14475201 0.84 CYP1A2 (0.63) CYP1A2CYP3A4CYP2C19CYP2D6LMNA
SCHEMBL14727573 0.83 CYP1A2 (0.61) CYP1A2CYP3A4CYP2C19CYP2D6LMNA
SCHEMBL16183451 0.83 CYP1A2 (0.58) CYP1A2CYP3A4CYP2C19CYP2D6LMNA
SCHEMBL2154624 0.83 CYP1A2 (0.60) CYP1A2CYP3A4CYP2C19CYP2D6LMNA
SCHEMBL16183455 0.82 CYP1A2 (0.57) CYP1A2CYP3A4CYP2C19CYP2D6LMNA
SCHEMBL17212414 0.82 SYK (0.66) CYP1A2CYP3A4CYP2C19CYP2D6LMNA
SCHEMBL14475539 0.82 ABCG2 (0.66) CYP1A2CYP3A4CYP2C19CYP2D6LMNA

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 10 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
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.