SCHEMBL14727289

SCHEMBL14727289

COc1ccc2nc(-c3cccnc3)nc(Nc3ccccc3C(=O)NCc3ccc(C(F)(F)F)o3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 11/20 0.48
ABCB1 P08183 2/20 0.45
LMNA P02545 3/20 0.44
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 3/20 0.44
USP2 O75604 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
TSHR P16473 2/20 0.44
CYP2C19 P33261 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CLK4 Q9HAZ1 2/20 0.44
MAPT P10636 5/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 2/20 0.42
GMNN O75496 1/20 0.42
ADORA3 P0DMS8 1/20 0.42

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
SCHEMBL14727276 0.87 ABCG2 (0.49) ABCG2ABCB1LMNACYP1A2CYP3A4
SCHEMBL14731235 0.86 ABCG2 (0.53) ABCG2ABCB1LMNACYP1A2CYP3A4
SCHEMBL14473990 0.86 MAPT (0.56) ABCG2ABCB1LMNACYP1A2CYP3A4
SCHEMBL14474896 0.86 ABCG2 (0.54) ABCG2ABCB1LMNACYP1A2CYP3A4
SCHEMBL14727269 0.86 ABCG2 (0.54) ABCG2ABCB1LMNACYP1A2CYP3A4
SCHEMBL14727287 0.85 ABCG2 (0.51) ABCG2ABCB1LMNACYP1A2CYP3A4
SCHEMBL14474087 0.85 ABCG2 (0.55) ABCG2ABCB1LMNACYP1A2CYP3A4
SCHEMBL14727273 0.84 KDR (0.52) ABCG2ABCB1LMNACYP1A2CYP3A4
SCHEMBL14727270 0.84 ALDH1A1 (0.60) ABCG2ABCB1LMNACYP1A2CYP3A4
SCHEMBL14474482 0.83 ABCG2 (0.53) ABCG2ABCB1LMNACYP1A2CYP3A4

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3056207-B1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMA CO LTD (JP) 2018-06-20 EP disclosed
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-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 4803/4885LMNA 4848/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG ABCG2 2822/4885ABCB1 4758/4885LMNA 4874/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA ABCG2 3042/4885ABCB1 4803/4885LMNA 4848/4885
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP2CA, PPP4C, PPP3CB ABCG2 1597/4885ABCB1 3803/4885LMNA 4832/4885

“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.