SCHEMBL14726327

SCHEMBL14726327

CCOc1ccc2nc(-c3cccnc3)nc(N3CCc4ccc(F)cc43)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ GBA1 P04062 1/20 0.42
▸ CYP11B1 P15538 2/20 0.41
▸ CYP11B2 P19099 2/20 0.41
▸ CYP19A1 P11511 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ CLK4 Q9HAZ1 1/20 0.41
▸ PDE5A O76074 4/20 0.41
▸ TSHR P16473 2/20 0.41
▸ HTR2C P28335 1/20 0.40
▸ ABCG2 Q9UNQ0 2/20 0.40
▸ S1PR1 P21453 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ USP2 O75604 1/20 0.39

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
SCHEMBL14474106 0.93 ALDH1A1 (0.43) ALDH1A1MAPTGAAGBA1CYP11B1
SCHEMBL14726315 0.91 MAPT (0.49) ALDH1A1MAPTGAAGBA1CYP11B1
SCHEMBL16183316 0.90 ALDH1A1 (0.43) ALDH1A1MAPTGAAGBA1CYP11B1
SCHEMBL16186351 0.87 ROCK1 (0.38) ALDH1A1MAPTGAACYP11B1CYP11B2
SCHEMBL16186332 0.85 ABCG2 (0.46) ALDH1A1MAPTGAAGBA1CYP11B1
SCHEMBL16183296 0.85 ALDH1A1 (0.43) ALDH1A1MAPTGAAGBA1CYP11B1
SCHEMBL16183344 0.85 GBA1 (0.47) ALDH1A1MAPTGAAGBA1CYP11B1
SCHEMBL14474806 0.85 ALDH1A1 (0.43) ALDH1A1MAPTGAAGBA1CYP11B1
SCHEMBL16183311 0.84 GBA1 (0.46) ALDH1A1MAPTGAAGBA1LMNA
SCHEMBL14726317 0.83 GAA (0.49) ALDH1A1MAPTGAAGBA1CYP11B1

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 ALDH1A1 2216/4885MAPT 519/4885GAA 339/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG ALDH1A1 2732/4885MAPT 417/4885GAA 1062/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA ALDH1A1 2216/4885MAPT 519/4885GAA 339/4885
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP2CA, PPP4C, PPP3CB ALDH1A1 1687/4885MAPT 509/4885GAA 406/4885

“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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