SCHEMBL19207327

SCHEMBL19207327

CC(C)(C)NC(=O)c1cc(-c2ccc(C3CC3)cc2)nc(-c2ccnn2C(C)(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
PDE4D Q08499 1/20 0.34
RIPK1 Q13546 1/20 0.34
DGAT1 O75907 2/20 0.34
LMNA P02545 1/20 0.34
EGFR P00533 2/20 0.33
SYK P43405 1/20 0.33
CSNK1E P49674 1/20 0.33
POLB P06746 1/20 0.33
MCHR1 Q99705 1/20 0.33
P2RY14 Q15391 1/20 0.33
DHODH Q02127 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 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
SCHEMBL19207339 0.86 CTRC (0.39) KDM4CRIPK1LMNAALDH1A1MEN1
SCHEMBL19207310 0.86 NR3C2 (0.36) KDM2BKDM4CHDAC3HDAC1HDAC2
SCHEMBL19641966 0.86 P2RY14 (0.36) KDM2BKDM4CHDAC3HDAC1HDAC2
SCHEMBL19207284 0.85 MAPT (0.40) KDM2BKDM4CRIPK1LMNAALDH1A1
SCHEMBL19207304 0.85 CNR1 (0.45) RIPK1LMNA
SCHEMBL19207262 0.85 LMNA (0.46) RIPK1LMNAEGFRPOLBALDH1A1
SCHEMBL19207276 0.84 P2RY14 (0.44) HDAC1RIPK1LMNAMCHR1P2RY14
SCHEMBL19207324 0.84 NPC1 (0.46) LMNAPOLBALDH1A1MEN1KMT2A
SCHEMBL19207288 0.84 GAA (0.37) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL19259331 0.84 RIPK1 (0.35) RIPK1LMNAPOLBP2RY14ALDH1A1

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 KDM2B 3058/4885KDM4C 2525/4885HDAC3 53/4885
US-20180339975-A1 PYRAZOL-PYRIDINE DERIVATIVES MC3R, MC2R, DRD3 KDM2B 3058/4885KDM4C 2525/4885HDAC3 53/4885

“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.