SCHEMBL14474113

SCHEMBL14474113

COC(=O)c1ccc(OC)c(Nc2nc(-c3cccnc3)nc3ccc(OC)cc23)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 11/20 0.58
MAPT P10636 7/20 0.58
KDM4E B2RXH2 4/20 0.58
ABCB1 P08183 2/20 0.53
LMNA P02545 4/20 0.53
CYP3A4 P08684 4/20 0.53
CYP1A2 P05177 3/20 0.53
GMNN O75496 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
ADORA2B P29275 1/20 0.53
BLM P54132 1/20 0.53
PMP22 Q01453 1/20 0.53
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
NPSR1 Q6W5P4 2/20 0.52
GAA P10253 1/20 0.52
MAPK1 P28482 1/20 0.52
CYP2C9 P11712 3/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C19 P33261 2/20 0.51

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
SCHEMBL20273431 0.91 ABCG2 (0.58) ABCG2MAPTKDM4EABCB1LMNA
SCHEMBL14474543 0.91 ABCG2 (0.65) ABCG2MAPTKDM4EABCB1LMNA
SCHEMBL14727356 0.90 ABCG2 (0.57) ABCG2MAPTKDM4EABCB1LMNA
SCHEMBL14727293 0.87 MAPT (0.63) ABCG2MAPTKDM4EABCB1LMNA
SCHEMBL14727294 0.86 ABCG2 (0.60) ABCG2MAPTKDM4EABCB1LMNA
SCHEMBL14474886 0.84 ABCG2 (0.60) ABCG2MAPTKDM4EABCB1LMNA
SCHEMBL14727338 0.84 ABCG2 (0.57) ABCG2MAPTKDM4EABCB1LMNA
SCHEMBL20273441 0.83 ABCG2 (0.59) ABCG2MAPTKDM4EABCB1LMNA
SCHEMBL2155854 0.83 ABCG2 (0.60) ABCG2MAPTKDM4EABCB1LMNA
SCHEMBL14474130 0.82 ABCG2 (0.57) ABCG2MAPTKDM4EABCB1LMNA

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
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 ABCG2 3042/4885MAPT 519/4885KDM4E 1215/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG ABCG2 2822/4885MAPT 417/4885KDM4E 1069/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA ABCG2 3042/4885MAPT 519/4885KDM4E 1215/4885
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP2CA, PPP4C, PPP3CB ABCG2 1597/4885MAPT 509/4885KDM4E 1395/4885

“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.