SCHEMBL16597462

SCHEMBL16597462

O=C(O)c1c[nH]c2c(F)c(F)c(F)c(F)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A2 P19784 4/20 0.40
▸ CSNK2B P67870 4/20 0.40
▸ CSNK2A1 P68400 4/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.37
▸ STAT3 P40763 1/20 0.37
▸ KDM3B Q7LBC6 1/20 0.36
▸ PRKAB2 O43741 6/20 0.35
▸ PRKAG1 P54619 6/20 0.35
▸ PRKAA2 P54646 6/20 0.35
▸ PRKAA1 Q13131 6/20 0.35
▸ PRKAG3 Q9UGI9 6/20 0.35
▸ PRKAG2 Q9UGJ0 6/20 0.35
▸ PRKAB1 Q9Y478 6/20 0.35
▸ KDM5A P29375 1/20 0.34
▸ KDM4C Q9H3R0 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ F7 P08709 1/20 0.33

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
SCHEMBL10508264 0.87 CSNK2A1 (0.51) CSNK2A2CSNK2BCSNK2A1CYP1A2HSD17B10
SCHEMBL27034883 0.79 CSNK2A2 (0.41) CSNK2A2CSNK2BCSNK2A1CYP1A2HSD17B10
SCHEMBL15389101 0.78 NR4A2 (0.46) HSD17B10KDM4EALDH1A1HPGD
SCHEMBL12748348 0.77 CSNK2A2 (0.60) CSNK2A2CSNK2BCSNK2A1CYP1A2HSD17B10
SCHEMBL2075700 0.75 CNR1 (0.39) —
SCHEMBL7827856 0.72 ALDH1A1 (0.45) KDM4EALDH1A1HPGD
SCHEMBL7012509 0.71 CSNK2A1 (0.41) CSNK2A2CSNK2BCSNK2A1CYP1A2HSD17B10
SCHEMBL16597426 0.69 CYP1A2 (0.39) CSNK2A2CSNK2BCSNK2A1CYP1A2HSD17B10
SCHEMBL1275907 0.69 ADRA2A (0.50) CSNK2A2CSNK2BCSNK2A1CYP1A2HSD17B10
SCHEMBL14037111 0.68 CSNK2A1 (0.39) CSNK2A2CSNK2BCSNK2A1CYP1A2HSD17B10

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105593211-B Indole and indazole derivatives 豪夫迈·罗氏有限公司 2021-07-27 — — CN disclosed
EP-3049391-B1 INDOLE AND INDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2018-12-26 — — EP disclosed
US-9708259-B2 Indol and indazol derivatives HOFFMANN-LA ROCHE INC. (US) 2017-07-18 — — US disclosed
EP-3049391-A1 INDOL AND INDAZOL DERIVATIVES F. Hoffmann-La Roche AG (CH) 2016-08-03 — — EP disclosed
US-20160207885-A1 INDOL AND INDAZOL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2016-07-21 — — US disclosed
CN-105593211-A Indol and indazol derivatives HOFFMANN LA ROCHE 2016-05-18 — — CN disclosed
WO-2015044072-A1 INDOL AND INDAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2015-04-02 — — 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 (1 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-20160207885-A1 INDOL AND INDAZOL DERIVATIVES CHRNA7, CHRM1, CHRNA3 CSNK2A2 474/4885CSNK2B 463/4885CSNK2A1 461/4885

“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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