SCHEMBL14475554

SCHEMBL14475554

CNc1nc(-c2cccnc2)nc2c(C)cc(-c3cccc(C#N)c3)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 8/20 0.53
CYP3A4 P08684 7/20 0.53
ALDH1A1 P00352 6/20 0.53
CLK4 Q9HAZ1 5/20 0.53
CYP2C19 P33261 5/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
MAPK1 P28482 4/20 0.53
ABCG2 Q9UNQ0 3/20 0.51
CHRNB2 P17787 2/20 0.48
CHRNA5 P30532 2/20 0.48
CHRNA4 P43681 2/20 0.48
HSD17B10 Q99714 6/20 0.48
CYP2C9 P11712 4/20 0.48
CYP2D6 P10635 2/20 0.48
TSHR P16473 3/20 0.46
USP2 O75604 2/20 0.46
NEK1 Q96PY6 1/20 0.46
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43

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
SCHEMBL14475586 0.91 ABCG2 (0.49) CYP1A2CYP3A4ALDH1A1CLK4CYP2C19
SCHEMBL16183904 0.90 CYP1A2 (0.53) CYP1A2CYP3A4ALDH1A1CLK4CYP2C19
SCHEMBL16186295 0.87 CYP1A2 (0.50) CYP1A2CYP3A4ALDH1A1CLK4CYP2C19
SCHEMBL18022981 0.86 CYP1A2 (0.53) CYP1A2CYP3A4ALDH1A1CLK4CYP2C19
SCHEMBL14727839 0.85 CHRNB2 (0.50) CYP1A2CYP3A4ALDH1A1CLK4CYP2C19
SCHEMBL16184856 0.85 CYP1A2 (0.48) CYP1A2CYP3A4ALDH1A1CLK4CYP2C19
SCHEMBL14475854 0.84 CYP1A2 (0.65) CYP1A2CYP3A4ALDH1A1CLK4CYP2C19
SCHEMBL14475552 0.84 CYP1A2 (0.51) CYP1A2CYP3A4ALDH1A1CLK4CYP2C19
SCHEMBL14727835 0.84 ALDH1A1 (0.53) CYP1A2CYP3A4ALDH1A1CLK4CYP2C19
Hydrochloric Acid SCHEMBL2155228 0.83 CYP1A2 (0.50) CYP1A2CYP3A4ALDH1A1CLK4CYP2C19

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 7 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
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-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 CYP1A2 4552/4885CYP3A4 4815/4885ALDH1A1 2216/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG CYP1A2 4619/4885CYP3A4 4805/4885ALDH1A1 2732/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA CYP1A2 4552/4885CYP3A4 4815/4885ALDH1A1 2216/4885
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP2CA, PPP4C, PPP3CB CYP1A2 2971/4885CYP3A4 4456/4885ALDH1A1 1687/4885

“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.