SCHEMBL19207293

SCHEMBL19207293

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.48
CNR2 P34972 5/20 0.45
CNR1 P21554 4/20 0.45
ADORA3 P0DMS8 3/20 0.42
ADORA2A P29274 3/20 0.42
ADORA1 P30542 2/20 0.42
SCN9A Q15858 4/20 0.41
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
DGAT2 Q96PD7 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ATM Q13315 1/20 0.39
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
APOL1 O14791 1/20 0.38

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
SCHEMBL18823914 0.91 ADORA3 (0.44) MAP4K4ADORA3ADORA2AADORA1SCN9A
SCHEMBL18389606 0.88 CNR2 (0.45) MAP4K4CNR2CNR1ADORA3NPC1
SCHEMBL18389333 0.88 MAPT (0.46) ADORA3ADORA2AADORA1SCN9ATP53
SCHEMBL19207267 0.84 ADORA3 (0.42) ADORA3ADORA2AADORA1SCN9ATP53
SCHEMBL19207263 0.82 ADORA3 (0.41) ADORA3ADORA2AADORA1SCN9ATP53
SCHEMBL19259013 0.82 ADORA3 (0.41) ADORA3ADORA2AADORA1SCN9ATP53
SCHEMBL19207307 0.81 HPGDS (0.42) ADORA3ADORA2AADORA1SCN9ATP53
SCHEMBL21003944 0.79 HDAC6 (0.41) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL19207295 0.79 MAP4K4 (0.42) MAP4K4CNR2CNR1ADORA3ADORA2A
SCHEMBL19258920 0.78 ADORA3 (0.45) ADORA3ADORA2AADORA1SCN9ANPC1

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 MAP4K4 2895/4885CNR2 416/4885CNR1 102/4885
US-20180339975-A1 PYRAZOL-PYRIDINE DERIVATIVES MC3R, MC2R, DRD3 MAP4K4 2895/4885CNR2 416/4885CNR1 102/4885

“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.