SCHEMBL14727072

SCHEMBL14727072

COc1cccc(-c2ccc3nc(-c4cccnc4)nc(Nc4cc(F)ccc4Cl)c3c2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 12/20 0.61
ABCB1 P08183 2/20 0.59
MAPT P10636 3/20 0.52
PDE5A O76074 2/20 0.52
LMNA P02545 3/20 0.50
CYP1A2 P05177 3/20 0.50
CYP3A4 P08684 3/20 0.50
CYP2D6 P10635 3/20 0.50
MAPK1 P28482 3/20 0.50
CYP2C19 P33261 3/20 0.50
USP2 O75604 2/20 0.50
CLK4 Q9HAZ1 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TSHR P16473 1/20 0.50
PIK3CA P42336 1/20 0.49
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP2C9 P11712 1/20 0.48
HIF1A Q16665 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
SCHEMBL14475506 0.93 ABCG2 (0.64) ABCG2ABCB1MAPTPDE5ALMNA
SCHEMBL14727314 0.93 ABCG2 (0.60) ABCG2ABCB1MAPTPDE5ALMNA
SCHEMBL14475488 0.91 ABCG2 (0.64) ABCG2ABCB1MAPTPDE5ALMNA
SCHEMBL14475484 0.89 ABCG2 (0.59) ABCG2ABCB1MAPTLMNACYP1A2
SCHEMBL14475516 0.89 ABCG2 (0.64) ABCG2ABCB1MAPTPDE5ALMNA
SCHEMBL14475520 0.88 ABCG2 (0.59) ABCG2ABCB1MAPTPDE5ALMNA
SCHEMBL14475513 0.87 ABCG2 (0.74) ABCG2ABCB1MAPTLMNACYP1A2
SCHEMBL14727311 0.87 ABCG2 (0.64) ABCG2ABCB1MAPTPDE5ALMNA
SCHEMBL14475795 0.87 ABCG2 (0.66) ABCG2ABCB1MAPTLMNACYP1A2
SCHEMBL14475851 0.86 ABCG2 (0.62) ABCG2ABCB1MAPTLMNACYP1A2

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 8 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
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-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-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 (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-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

“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.