SCHEMBL14726951

SCHEMBL14726951

COc1cccc(-c2ccc3nc(-c4cccnc4)nc(Nc4ccc(F)c(Cl)c4)c3c2)c1OC

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 15/20 0.54
ABCB1 P08183 2/20 0.54
MAPT P10636 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPK1 P28482 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
KMT2A Q03164 1/20 0.48
RAF1 P04049 1/20 0.46
BRAF P15056 1/20 0.46
HTT P42858 1/20 0.44
PIK3CA P42336 1/20 0.44

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
SCHEMBL16183271 0.93 ABCG2 (0.59) ABCG2ABCB1MAPTKDM4EMAPK1
SCHEMBL14727011 0.90 ABCG2 (0.58) ABCG2ABCB1MAPTKDM4EMAPK1
SCHEMBL14475479 0.88 ABCG2 (0.66) ABCG2ABCB1MAPTKDM4EMAPK1
SCHEMBL14726966 0.87 ABCG2 (0.61) ABCG2ABCB1MAPTKDM4EMAPK1
SCHEMBL14727008 0.87 ABCG2 (0.58) ABCG2ABCB1MAPTKDM4EMAPK1
SCHEMBL14726736 0.87 ABCG2 (0.54) ABCG2ABCB1MAPTKDM4EMAPK1
SCHEMBL14475485 0.87 ABCG2 (0.58) ABCG2ABCB1MAPTKDM4EMAPK1
SCHEMBL14726962 0.87 ABCG2 (0.53) ABCG2ABCB1MAPTKDM4EMAPK1
SCHEMBL14727055 0.86 ABCG2 (0.59) ABCG2ABCB1MAPTKDM4EMAPK1
SCHEMBL14726735 0.86 ABCG2 (0.57) ABCG2ABCB1MAPTKDM4EMAPK1

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-9630947-B2 Therapeutic compounds and related methods of use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-04-25 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

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 3042/4885ABCB1 4803/4885MAPT 519/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG ABCG2 2822/4885ABCB1 4758/4885MAPT 417/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA ABCG2 3042/4885ABCB1 4803/4885MAPT 519/4885
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP2CA, PPP4C, PPP3CB ABCG2 1597/4885ABCB1 3803/4885MAPT 509/4885

“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.