SCHEMBL14727887

SCHEMBL14727887

COc1cccc(-c2ccc3nc(-c4cccnc4)nc(NCCCCC(=O)NCc4ccccc4)c3c2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.61
▸ CYP1A2 P05177 7/20 0.59
▸ CYP3A4 P08684 7/20 0.59
▸ CLK4 Q9HAZ1 7/20 0.59
▸ TSHR P16473 6/20 0.59
▸ CYP2D6 P10635 6/20 0.59
▸ CYP2C19 P33261 6/20 0.59
▸ USP2 O75604 5/20 0.59
▸ LMNA P02545 5/20 0.59
▸ MAPK1 P28482 4/20 0.59
▸ MEN1 O00255 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ HSD17B10 Q99714 4/20 0.54
▸ CYP2C9 P11712 3/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ GBA1 P04062 6/20 0.53
▸ PDE5A O76074 5/20 0.52
▸ ABCB1 P08183 1/20 0.51
▸ ABCG2 Q9UNQ0 1/20 0.51
▸ HIF1A Q16665 1/20 0.51

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
SCHEMBL14474117 0.89 ABCG2 (0.57) MAPTCYP1A2CYP3A4CLK4TSHR
SCHEMBL14727828 0.89 MAPT (0.57) MAPTCYP1A2CYP3A4CLK4TSHR
SCHEMBL14727833 0.88 ABCG2 (0.56) MAPTCYP1A2CYP3A4CLK4TSHR
SCHEMBL14475572 0.86 MAPT (0.79) MAPTCYP1A2CYP3A4CLK4TSHR
SCHEMBL14727836 0.85 ABCG2 (0.57) MAPTCYP1A2CYP3A4CLK4TSHR
SCHEMBL14475102 0.85 MAPT (0.58) MAPTCYP1A2CYP3A4CLK4TSHR
SCHEMBL14475079 0.84 MAPT (0.56) MAPTCYP1A2CYP3A4CLK4TSHR
SCHEMBL14475569 0.84 MAPT (0.67) MAPTCYP1A2CYP3A4CLK4TSHR
SCHEMBL14475210 0.83 MAPT (0.60) MAPTCYP1A2CYP3A4CLK4TSHR
SCHEMBL14475182 0.83 MAPT (0.56) MAPTCYP1A2CYP3A4CLK4TSHR

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 519/4885CYP1A2 4552/4885CYP3A4 4815/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG MAPT 417/4885CYP1A2 4619/4885CYP3A4 4805/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA MAPT 519/4885CYP1A2 4552/4885CYP3A4 4815/4885
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP2CA, PPP4C, PPP3CB MAPT 509/4885CYP1A2 2971/4885CYP3A4 4456/4885

“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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