SCHEMBL19258935

SCHEMBL19258935

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TSHR P16473 1/20 0.37
CASP1 P29466 1/20 0.37
GSK3B P49841 1/20 0.37
NR3C2 P08235 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
ADORA3 P0DMS8 3/20 0.35
ADORA2A P29274 3/20 0.35
TP53 P04637 2/20 0.35
MAPT P10636 1/20 0.35
SCN9A Q15858 3/20 0.35
TBK1 Q9UHD2 2/20 0.34
ADORA1 P30542 2/20 0.34
RXFP1 Q9HBX9 1/20 0.33
KDM5A P29375 1/20 0.33
KDM2B Q8NHM5 1/20 0.33
KDM4C Q9H3R0 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
SCHEMBL19259333 0.91 CTRC (0.38) NR3C2ADORA3MAPTTBK1
SCHEMBL19207322 0.91 LMNA (0.39) L3MBTL1ALDH1A1HPGDHSD17B10TSHR
SCHEMBL19207319 0.87 MAP4K4 (0.41) L3MBTL1ALDH1A1HPGDHSD17B10TSHR
SCHEMBL19207298 0.87 JAK2 (0.39) L3MBTL1ALDH1A1HPGDHSD17B10TSHR
SCHEMBL19207325 0.86 ALDH1A1 (0.38) L3MBTL1ALDH1A1HPGDHSD17B10TSHR
SCHEMBL19207321 0.86 HPGDS (0.38) L3MBTL1ALDH1A1HPGDHSD17B10TSHR
SCHEMBL19207256 0.83 P2RY14 (0.42) ALDH1A1HPGDNR3C2ADORA3KDM4E
SCHEMBL19207317 0.82 NR3C2 (0.39) ALDH1A1NR3C2ADORA3ADORA1KDM5A
SCHEMBL21524001 0.81 NR3C2 (0.33) L3MBTL1ALDH1A1HPGDHSD17B10TSHR
SCHEMBL19207306 0.81 NR3C2 (0.37) ALDH1A1NR3C2TP53MAPTKDM5A

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 11 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
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

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 L3MBTL1 3581/4885ALDH1A1 1032/4885HPGD 2260/4885
US-20180339975-A1 PYRAZOL-PYRIDINE DERIVATIVES MC3R, MC2R, DRD3 L3MBTL1 3581/4885ALDH1A1 1032/4885HPGD 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.