SCHEMBL19207267

SCHEMBL19207267

CC(C)(NC(=O)c1cc(Br)nc(-c2ccc(F)cc2)c1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.42
ADORA2A P29274 3/20 0.42
TP53 P04637 2/20 0.41
MAPT P10636 1/20 0.41
ADORA1 P30542 2/20 0.40
SCN9A Q15858 6/20 0.39
ALDH1A1 P00352 4/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 2/20 0.38
RAB9A P51151 2/20 0.36
MITF O75030 1/20 0.36
LMNA P02545 1/20 0.36
STAT3 P40763 1/20 0.36
STAT1 P42224 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL18389333 0.89 MAPT (0.46) ADORA3ADORA2ATP53MAPTADORA1
SCHEMBL18823914 0.84 ADORA3 (0.44) ADORA3ADORA2ATP53MAPTADORA1
SCHEMBL19207293 0.84 MAP4K4 (0.48) ADORA3ADORA2ATP53MAPTADORA1
SCHEMBL19207263 0.83 ADORA3 (0.41) ADORA3ADORA2ATP53MAPTADORA1
SCHEMBL19259013 0.83 ADORA3 (0.41) ADORA3ADORA2ATP53MAPTADORA1
SCHEMBL19207307 0.82 HPGDS (0.42) ADORA3ADORA2ATP53MAPTADORA1
SCHEMBL18389514 0.79 ADORA3 (0.49) ADORA3ALDH1A1HPGDKDM4EHDAC3
SCHEMBL19258920 0.79 ADORA3 (0.45) ADORA3ADORA2AADORA1SCN9AALDH1A1
SCHEMBL19207325 0.78 ALDH1A1 (0.38) ADORA3ADORA2ATP53MAPTADORA1
SCHEMBL18389445 0.77 ADORA3 (0.44) ADORA3ADORA1ALDH1A1HPGDSMN1; SMN2

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 9 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 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 ADORA3 136/4885ADORA2A 1498/4885TP53 3140/4885
US-20180339975-A1 PYRAZOL-PYRIDINE DERIVATIVES MC3R, MC2R, DRD3 ADORA3 136/4885ADORA2A 1498/4885TP53 3140/4885

“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.