SCHEMBL19207325

SCHEMBL19207325

CC(C)(C)n1nccc1-c1cc(C(=O)NC(C)(C)C(F)(F)F)cc(-c2ccc(F)cc2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
L3MBTL1 Q9Y468 4/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 3/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
GSK3B P49841 2/20 0.38
ADORA3 P0DMS8 3/20 0.37
ADORA2A P29274 3/20 0.37
TP53 P04637 2/20 0.36
MAPT P10636 1/20 0.36
ADORA1 P30542 2/20 0.35
KDM4E B2RXH2 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SCN9A Q15858 5/20 0.35
KDM5A P29375 1/20 0.34
KDM2B Q8NHM5 1/20 0.34
KDM4C Q9H3R0 1/20 0.34

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
SCHEMBL19259345 0.91 CTRC (0.38) GSK3BADORA3MAPTKDM4EDYRK1A
SCHEMBL19207284 0.91 MAPT (0.40) ALDH1A1L3MBTL1HPGDHSD17B10TSHR
SCHEMBL19259344 0.89 SMN1; SMN2 (0.34) ALDH1A1HPGDHSD17B10TSHRCASP1
SCHEMBL19207295 0.87 MAP4K4 (0.42) ALDH1A1L3MBTL1HPGDHSD17B10TSHR
SCHEMBL19207290 0.87 ADORA3 (0.39) ALDH1A1L3MBTL1HPGDHSD17B10TSHR
SCHEMBL19207338 0.86 JAK2 (0.40) ALDH1A1L3MBTL1HPGDHSD17B10TSHR
SCHEMBL19259328 0.86 GSK3B (0.37) ALDH1A1L3MBTL1HPGDHSD17B10TSHR
SCHEMBL19258935 0.86 L3MBTL1 (0.37) ALDH1A1L3MBTL1HPGDHSD17B10TSHR
SCHEMBL19207351 0.86 MAPT (0.37) ALDH1A1L3MBTL1HPGDHSD17B10TSHR
SCHEMBL19207254 0.85 HPGDS (0.39) ALDH1A1L3MBTL1HPGDHSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108473462-B Pyrazole-pyridine derivatives as EAAT3 inhibitors 豪夫迈·罗氏有限公司 2021-06-22 CN claimed
EP-3411365-B1 PYRAZOL-PYRIDINE DERIVATIVES AS EAAT3 INHIBITORS HOFFMANN LA ROCHE (CH) 2019-11-20 EP claimed
US-10457663-B2 Pyrazol-pyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2019-10-29 US claimed
US-20180339975-A1 PYRAZOL-PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-11-29 US claimed
CN-108473462-B Pyrazole-pyridine derivatives as EAAT3 inhibitors 豪夫迈·罗氏有限公司 2021-06-22 CN disclosed
EP-3411365-B1 PYRAZOL-PYRIDINE DERIVATIVES AS EAAT3 INHIBITORS HOFFMANN LA ROCHE (CH) 2019-11-20 EP disclosed
EP-3411365-B1 PYRAZOL-PYRIDINE DERIVATIVES AS EAAT3 INHIBITORS HOFFMANN LA ROCHE (CH) 2019-11-20 EP disclosed
US-10457663-B2 Pyrazol-pyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2019-10-29 US disclosed
US-10457663-B2 Pyrazol-pyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2019-10-29 US disclosed
EP-3411365-A1 PYRAZOL-PYRIDINE DERIVATIVES AS EAAT3 INHIBITORS H. Hoffnabb-La Roche Ag (CH) 2018-12-12 EP disclosed
US-20180339975-A1 PYRAZOL-PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-11-29 US disclosed
WO-2017133990-A1 PYRAZOL-PYRIDINE DERIVATIVES AS EAAT3 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2017-08-10 WO disclosed
WO-2017133990-A1 PYRAZOL-PYRIDINE DERIVATIVES AS EAAT3 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2017-08-10 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 (2 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-10457663-B2 Pyrazol-pyridine derivatives MC3R, MC2R, DRD3 ALDH1A1 1032/4885L3MBTL1 3581/4885HPGD 2260/4885
US-20180339975-A1 PYRAZOL-PYRIDINE DERIVATIVES MC3R, MC2R, DRD3 ALDH1A1 1032/4885L3MBTL1 3581/4885HPGD 2260/4885

“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.