SCHEMBL19207311

SCHEMBL19207311

CC(C)(NC(=O)c1cc(-c2ccc(Cl)cc2)nc(-c2ccnn2C(C)(C)C)c1)C1CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTRC Q99895 3/20 0.37
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
CYP2C19 P33261 1/20 0.36
ADORA3 P0DMS8 3/20 0.35
WDR5 P61964 1/20 0.34
CNR1 P21554 2/20 0.34
ANO1 Q5XXA6 1/20 0.34
MDM2 Q00987 1/20 0.33
TYRO3 Q06418 1/20 0.33
IDO1 P14902 1/20 0.33
KCNH2 Q12809 1/20 0.33
PSD A5PKW4 1/20 0.33
HSD11B1 P28845 1/20 0.33
CNR2 P34972 1/20 0.32
VCP P55072 1/20 0.32

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
SCHEMBL19207254 0.90 HPGDS (0.39) ADORA3WDR5TYRO3
SCHEMBL19207304 0.88 CNR1 (0.45) CTRCADORA3CNR1MDM2HSD11B1
SCHEMBL19207294 0.87 CTRC (0.36) CTRCADORA3WDR5CNR1ANO1
SCHEMBL19641970 0.86 CYP2C19 (0.35) CYP3A4GAACYP2C19WDR5CNR1
SCHEMBL29727612 0.86 CYP2C19 (0.35) CYP3A4GAACYP2C19WDR5CNR1
SCHEMBL19207336 0.84 CNR2 (0.41) CTRCADORA3CNR1ANO1CNR2
SCHEMBL19259345 0.84 CTRC (0.38) CTRCADORA3CNR1PSDCNR2
SCHEMBL19207260 0.83 JAK2 (0.40) CTRCADORA3CNR1ANO1CNR2
SCHEMBL20127049 0.81 ADORA3 (0.40) CTRCADORA3CNR1ANO1TYRO3
SCHEMBL19207327 0.80 KDM2B (0.36)

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 15 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
EP-3411365-A1 PYRAZOL-PYRIDINE DERIVATIVES AS EAAT3 INHIBITORS H. Hoffnabb-La Roche Ag (CH) 2018-12-12 EP claimed
US-20180339975-A1 PYRAZOL-PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-11-29 US claimed
WO-2017133990-A1 PYRAZOL-PYRIDINE DERIVATIVES AS EAAT3 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2017-08-10 WO 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 CTRC 2889/4885CYP3A4 803/4885GAA 4800/4885
US-20180339975-A1 PYRAZOL-PYRIDINE DERIVATIVES MC3R, MC2R, DRD3 CTRC 2889/4885CYP3A4 803/4885GAA 4800/4885

“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.