SCHEMBL19207263

SCHEMBL19207263

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.41
ADORA2A P29274 3/20 0.41
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
ADORA1 P30542 2/20 0.39
SCN9A Q15858 6/20 0.38
ANO1 Q5XXA6 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
DGAT2 Q96PD7 1/20 0.37
PRKD1 Q15139 1/20 0.37
HDAC3 O15379 2/20 0.36
HDAC4 P56524 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC10 Q969S8 2/20 0.36
HDAC11 Q96DB2 2/20 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
SCHEMBL18389439 0.88 ADORA3 (0.41) ADORA3JAK2JAK3ANO1MAPT
SCHEMBL18389333 0.87 MAPT (0.46) ADORA3ADORA2AJAK2ADORA1SCN9A
SCHEMBL19259013 0.84 ADORA3 (0.41) ADORA3ADORA2AADORA1SCN9ATP53
SCHEMBL19207267 0.83 ADORA3 (0.42) ADORA3ADORA2AADORA1SCN9ATP53
SCHEMBL18823914 0.82 ADORA3 (0.44) ADORA3ADORA2AADORA1SCN9AANO1
SCHEMBL19207293 0.82 MAP4K4 (0.48) ADORA3ADORA2AADORA1SCN9ATP53
SCHEMBL19207307 0.81 HPGDS (0.42) ADORA3ADORA2AADORA1SCN9ATP53
SCHEMBL21573972 0.79 MAPT (0.41) ADORA3ADORA2AADORA1SCN9ATP53
SCHEMBL19207338 0.79 JAK2 (0.40) ADORA3ADORA2AJAK2JAK3ADORA1
SCHEMBL19207298 0.78 JAK2 (0.39) ADORA3ADORA2AJAK2JAK3ADORA1

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 1498/4885JAK2 631/4885
US-20180339975-A1 PYRAZOL-PYRIDINE DERIVATIVES MC3R, MC2R, DRD3 ADORA3 136/4885ADORA2A 1498/4885JAK2 631/4885

“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.