SCHEMBL14726698

SCHEMBL14726698

Cc1ccc(-c2ccc3nc(-c4cccnc4)nc(Nc4ccc(F)c(Cl)c4)c3c2)cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 9/20 0.57
MAPK1 P28482 3/20 0.53
CYP1A2 P05177 3/20 0.53
CYP3A4 P08684 3/20 0.53
MAPT P10636 2/20 0.53
TSHR P16473 2/20 0.53
KDM4E B2RXH2 1/20 0.53
HPGD P15428 1/20 0.53
CYP2C19 P33261 1/20 0.53
HSD17B10 Q99714 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
HTT P42858 1/20 0.51
ABCB1 P08183 2/20 0.48
PDE5A O76074 3/20 0.48
LMNA P02545 2/20 0.47
USP2 O75604 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
RAF1 P04049 1/20 0.47
HIF1A Q16665 1/20 0.47

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
SCHEMBL14474966 0.93 ABCG2 (0.64) ABCG2MAPK1CYP1A2CYP3A4MAPT
SCHEMBL14726700 0.93 ABCG2 (0.57) ABCG2MAPK1CYP1A2CYP3A4MAPT
SCHEMBL14474960 0.92 ABCG2 (0.58) ABCG2MAPK1CYP1A2CYP3A4MAPT
SCHEMBL14726741 0.92 MAPK1 (0.53) ABCG2MAPK1CYP1A2CYP3A4MAPT
SCHEMBL14726721 0.91 MAPT (0.60) ABCG2MAPK1CYP1A2CYP3A4MAPT
SCHEMBL19204131 0.91 ABCG2 (0.59) ABCG2MAPK1CYP1A2CYP3A4MAPT
SCHEMBL14726944 0.91 ABCG2 (0.63) ABCG2MAPK1CYP1A2CYP3A4MAPT
SCHEMBL14726950 0.91 ABCG2 (0.63) ABCG2MAPK1CYP1A2CYP3A4MAPT
SCHEMBL14726980 0.91 ABCG2 (0.66) ABCG2MAPK1CYP1A2CYP3A4MAPT
SCHEMBL14475518 0.90 ABCG2 (0.56) ABCG2MAPK1CYP1A2CYP3A4MAPT

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 6 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-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-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-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 3042/4885MAPK1 1698/4885CYP1A2 4552/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG ABCG2 2822/4885MAPK1 1350/4885CYP1A2 4619/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA ABCG2 3042/4885MAPK1 1698/4885CYP1A2 4552/4885
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP2CA, PPP4C, PPP3CB ABCG2 1597/4885MAPK1 1693/4885CYP1A2 2971/4885

“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.