SCHEMBL19207326

SCHEMBL19207326

CCn1nccc1-c1cc(C(=O)NC(C)(C)C)cc(-c2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 2/20 0.42
ADORA3 P0DMS8 1/20 0.41
ADAMTS7 Q9UKP4 1/20 0.39
MCHR1 Q99705 6/20 0.39
ABL1 P00519 1/20 0.38
KDM1A O60341 1/20 0.38
HDAC1 Q13547 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
ANO1 Q5XXA6 2/20 0.37
RIPK1 Q13546 1/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
POLB P06746 1/20 0.36
PDE11A Q9HCR9 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
SCHEMBL19207314 0.92 CRHR1 (0.40) P2RY14ADORA3ADAMTS7MCHR1
SCHEMBL19207291 0.90 TP53 (0.41) ADORA3ABL1HDAC1KDM4EALDH1A1
SCHEMBL19207320 0.88 CNR1 (0.43) ADORA3ABL1ALDH1A1HPGDPDE11A
SCHEMBL19207315 0.88 CRHR1 (0.42) P2RY14ADORA3MCHR1
SCHEMBL19207276 0.86 P2RY14 (0.44) P2RY14ADORA3MCHR1KDM1AHDAC1
SCHEMBL19641912 0.86 P2RY14 (0.46) P2RY14ADAMTS7MCHR1ABL1
SCHEMBL19207256 0.84 P2RY14 (0.42) P2RY14ADORA3MCHR1HDAC1KDM4E
SCHEMBL18389377 0.78 ADORA3 (0.49) P2RY14ADORA3MCHR1KDM1AHDAC1
SCHEMBL19207316 0.78 PDE4D (0.40) ADORA3HDAC1ALDH1A1
SCHEMBL18389378 0.77 ADORA3 (0.50) P2RY14ADORA3MCHR1HDAC1KDM4E

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
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

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 P2RY14 1515/4885ADORA3 136/4885ADAMTS7 4574/4885
US-20180339975-A1 PYRAZOL-PYRIDINE DERIVATIVES MC3R, MC2R, DRD3 P2RY14 1515/4885ADORA3 136/4885ADAMTS7 4574/4885

“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.