SCHEMBL14726329

SCHEMBL14726329

COc1ccc2nc(-c3cccnc3)nc(N3CCc4cccc(F)c43)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.49
▸ GAA P10253 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ ABCG2 Q9UNQ0 7/20 0.46
▸ GBA1 P04062 1/20 0.46
▸ ABCB1 P08183 1/20 0.44
▸ CYP3A4 P08684 4/20 0.43
▸ CYP1A2 P05177 3/20 0.43
▸ CYP2D6 P10635 3/20 0.43
▸ CLK4 Q9HAZ1 3/20 0.43
▸ LMNA P02545 3/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ CYP11B1 P15538 3/20 0.43
▸ CYP11B2 P19099 3/20 0.43
▸ CYP17A1 P05093 2/20 0.43
▸ MAPK1 P28482 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 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
SCHEMBL14726337 0.89 MAPT (0.49) MAPTGAAALDH1A1ABCG2GBA1
SCHEMBL14726320 0.86 ABCG2 (0.46) MAPTGAAALDH1A1ABCG2GBA1
SCHEMBL16183328 0.85 MAPT (0.52) MAPTGAAALDH1A1ABCG2GBA1
SCHEMBL14726315 0.84 MAPT (0.49) MAPTGAAALDH1A1ABCG2GBA1
SCHEMBL14726317 0.84 GAA (0.49) MAPTGAAALDH1A1ABCG2GBA1
SCHEMBL14358556 0.83 CYP11B2 (0.45) MAPTGAAALDH1A1ABCG2GBA1
SCHEMBL14358632 0.81 ABCG2 (0.55) MAPTGAAALDH1A1ABCG2GBA1
SCHEMBL16183297 0.81 MAPT (0.49) MAPTGAAALDH1A1ABCG2GBA1
SCHEMBL16183295 0.81 TUBB4A (0.49) MAPTGAAALDH1A1ABCG2GBA1
SCHEMBL14358717 0.81 ABCG2 (0.55) MAPTGAAALDH1A1ABCG2GBA1

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
US-9630947-B2 Therapeutic compounds and related methods of use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-04-25 — — 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-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 MAPT 519/4885GAA 339/4885ALDH1A1 2216/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG MAPT 417/4885GAA 1062/4885ALDH1A1 2732/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA MAPT 519/4885GAA 339/4885ALDH1A1 2216/4885
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP2CA, PPP4C, PPP3CB MAPT 509/4885GAA 406/4885ALDH1A1 1687/4885

“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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