SCHEMBL14474516

SCHEMBL14474516

COc1cccc(-c2ccc3nc(-c4cccnc4)nc(N[C@@H]4CCC[C@@H]4C(N)=O)c3c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 9/20 0.52
▸ GBA1 P04062 5/20 0.49
▸ ABCB1 P08183 1/20 0.48
▸ LMNA P02545 3/20 0.47
▸ CYP1A2 P05177 3/20 0.47
▸ CYP3A4 P08684 3/20 0.47
▸ TSHR P16473 3/20 0.47
▸ MAPK1 P28482 3/20 0.47
▸ CLK4 Q9HAZ1 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ USP2 O75604 2/20 0.47
▸ CYP2D6 P10635 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ TP53 P04637 2/20 0.47
▸ ALOX15 P16050 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ MAPT P10636 2/20 0.46
▸ KDM4E B2RXH2 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
SCHEMBL14475218 1.00 ABCG2 (0.52) ABCG2GBA1ABCB1LMNACYP1A2
SCHEMBL14475596 1.00 ABCG2 (0.52) ABCG2GBA1ABCB1LMNACYP1A2
SCHEMBL20273732 0.93 ABCG2 (0.51) ABCG2GBA1ABCB1LMNACYP1A2
SCHEMBL20273552 0.90 ABCG2 (0.49) ABCG2GBA1ABCB1LMNACYP1A2
SCHEMBL14475591 0.84 GBA1 (0.64) ABCG2GBA1ABCB1LMNACYP1A2
SCHEMBL14475095 0.83 GBA1 (0.47) GBA1
SCHEMBL14475595 0.83 GBA1 (0.64) ABCG2GBA1ABCB1LMNACYP1A2
SCHEMBL14475176 0.82 GBA1 (0.46) ABCG2GBA1CYP1A2CYP3A4TSHR
SCHEMBL16184520 0.80 GBA1 (0.41) ABCG2GBA1ABCB1LMNACYP1A2
SCHEMBL14474167 0.79 GBA1 (0.42) ABCG2GBA1ABCB1LMNACYP1A2

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
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-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
WO-2013003586-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-03 — — WO 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 3042/4885GBA1 304/4885ABCB1 4803/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG ABCG2 2822/4885GBA1 853/4885ABCB1 4758/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA ABCG2 3042/4885GBA1 304/4885ABCB1 4803/4885
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP2CA, PPP4C, PPP3CB ABCG2 1597/4885GBA1 1316/4885ABCB1 3803/4885

“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.

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