SCHEMBL16183271

SCHEMBL16183271

COc1ccccc1-c1ccc2nc(-c3cccnc3)nc(Nc3ccc(F)c(Cl)c3)c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 12/20 0.59
ABCB1 P08183 2/20 0.59
MAPT P10636 4/20 0.54
MAPK1 P28482 3/20 0.54
KDM4E B2RXH2 2/20 0.54
CYP1A2 P05177 2/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2C19 P33261 2/20 0.54
HSD17B10 Q99714 2/20 0.54
HPGD P15428 1/20 0.54
TSHR P16473 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
USP2 O75604 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
USP1 O94782 1/20 0.49
WDR48 Q8TAF3 1/20 0.49
LMNA P02545 2/20 0.48
HTT P42858 1/20 0.48
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL14727055 0.93 ABCG2 (0.59) ABCG2ABCB1MAPTMAPK1KDM4E
SCHEMBL14726951 0.93 ABCG2 (0.54) ABCG2ABCB1MAPTMAPK1KDM4E
SCHEMBL14475485 0.91 ABCG2 (0.58) ABCG2ABCB1MAPTMAPK1KDM4E
SCHEMBL14727008 0.91 ABCG2 (0.58) ABCG2ABCB1MAPTMAPK1KDM4E
SCHEMBL14726736 0.91 ABCG2 (0.54) ABCG2ABCB1MAPTMAPK1KDM4E
SCHEMBL14727011 0.91 ABCG2 (0.58) ABCG2ABCB1MAPTMAPK1KDM4E
SCHEMBL14475479 0.90 ABCG2 (0.66) ABCG2ABCB1MAPTMAPK1KDM4E
SCHEMBL14727004 0.89 ABCG2 (0.61) ABCG2ABCB1MAPTMAPK1KDM4E
SCHEMBL14726966 0.89 ABCG2 (0.61) ABCG2ABCB1MAPTMAPK1KDM4E
SCHEMBL14726962 0.89 ABCG2 (0.53) ABCG2ABCB1MAPTMAPK1KDM4E

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
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-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.