SCHEMBL14727828

SCHEMBL14727828

COc1cccc(-c2ccc3nc(-c4cccnc4)nc(NCCCCC(=O)O)c3c2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.57
▸ ABCG2 Q9UNQ0 5/20 0.55
▸ CYP1A2 P05177 7/20 0.54
▸ CYP3A4 P08684 7/20 0.54
▸ TSHR P16473 6/20 0.54
▸ CLK4 Q9HAZ1 6/20 0.54
▸ CYP2D6 P10635 6/20 0.54
▸ CYP2C19 P33261 6/20 0.54
▸ USP2 O75604 4/20 0.54
▸ LMNA P02545 4/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ MAPK1 P28482 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ GBA1 P04062 5/20 0.54
▸ LATS1 O95835 1/20 0.54
▸ ABCB1 P08183 1/20 0.52
▸ CYP2C9 P11712 3/20 0.51
▸ HSD17B10 Q99714 3/20 0.51
▸ ALDH1A1 P00352 2/20 0.50
▸ HIF1A Q16665 1/20 0.50

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
SCHEMBL14475102 0.95 MAPT (0.58) MAPTABCG2CYP1A2CYP3A4TSHR
SCHEMBL14727833 0.94 ABCG2 (0.56) MAPTABCG2CYP1A2CYP3A4TSHR
SCHEMBL14727836 0.91 ABCG2 (0.57) MAPTABCG2CYP1A2CYP3A4TSHR
SCHEMBL14474117 0.90 ABCG2 (0.57) MAPTABCG2CYP1A2CYP3A4TSHR
SCHEMBL14475210 0.89 MAPT (0.60) MAPTABCG2CYP1A2CYP3A4TSHR
SCHEMBL14727887 0.89 MAPT (0.61) MAPTABCG2CYP1A2CYP3A4TSHR
SCHEMBL14475079 0.89 MAPT (0.56) MAPTABCG2CYP1A2CYP3A4TSHR
SCHEMBL14475182 0.89 MAPT (0.56) MAPTABCG2CYP1A2CYP3A4TSHR
SCHEMBL14475148 0.88 GBA1 (0.62) MAPTABCG2CYP1A2CYP3A4TSHR
SCHEMBL20273580 0.85 MAPT (0.58) MAPTABCG2CYP1A2CYP3A4TSHR

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
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

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 MAPT 519/4885ABCG2 3042/4885CYP1A2 4552/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG MAPT 417/4885ABCG2 2822/4885CYP1A2 4619/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA MAPT 519/4885ABCG2 3042/4885CYP1A2 4552/4885
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP2CA, PPP4C, PPP3CB MAPT 509/4885ABCG2 1597/4885CYP1A2 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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