SCHEMBL14475591

SCHEMBL14475591

COc1cccc(-c2ccc3nc(-c4cccnc4)nc(NC4CCC4)c3c2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 11/20 0.64
▸ LMNA P02545 4/20 0.62
▸ CYP1A2 P05177 4/20 0.62
▸ CYP3A4 P08684 4/20 0.62
▸ MAPK1 P28482 4/20 0.62
▸ ALDH1A1 P00352 3/20 0.62
▸ ALOX15 P16050 3/20 0.62
▸ TSHR P16473 3/20 0.62
▸ CLK4 Q9HAZ1 3/20 0.62
▸ HSD17B10 Q99714 3/20 0.62
▸ CYP2C19 P33261 3/20 0.62
▸ TP53 P04637 2/20 0.62
▸ USP2 O75604 2/20 0.62
▸ CYP2D6 P10635 2/20 0.62
▸ MEN1 O00255 1/20 0.62
▸ KMT2A Q03164 1/20 0.62
▸ ABCG2 Q9UNQ0 4/20 0.58
▸ HIF1A Q16665 1/20 0.57
▸ ABCB1 P08183 1/20 0.56
▸ MAPT P10636 1/20 0.53

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
SCHEMBL14475595 0.98 GBA1 (0.64) GBA1LMNACYP1A2CYP3A4MAPK1
SCHEMBL20273732 0.85 ABCG2 (0.51) GBA1LMNACYP1A2CYP3A4MAPK1
SCHEMBL14475115 0.85 ABCG2 (0.52) GBA1LMNACYP1A2CYP3A4MAPK1
SCHEMBL2154983 0.85 ABCG2 (0.65) LMNACYP1A2CYP3A4MAPK1ALDH1A1
SCHEMBL14475596 0.84 ABCG2 (0.52) GBA1LMNACYP1A2CYP3A4MAPK1
SCHEMBL14475218 0.84 ABCG2 (0.52) GBA1LMNACYP1A2CYP3A4MAPK1
SCHEMBL14474516 0.84 ABCG2 (0.52) GBA1LMNACYP1A2CYP3A4MAPK1
SCHEMBL14727928 0.84 ABCG2 (0.62) GBA1LMNACYP1A2CYP3A4MAPK1
SCHEMBL14475587 0.84 PDE5A (0.65) GBA1LMNACYP1A2CYP3A4MAPK1
SCHEMBL14475585 0.83 GBA1 (0.69) GBA1LMNACYP1A2CYP3A4MAPK1

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-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 GBA1 304/4885LMNA 4848/4885CYP1A2 4552/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG GBA1 853/4885LMNA 4874/4885CYP1A2 4619/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA GBA1 304/4885LMNA 4848/4885CYP1A2 4552/4885
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP2CA, PPP4C, PPP3CB GBA1 1316/4885LMNA 4832/4885CYP1A2 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.

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