SCHEMBL19641920

SCHEMBL19641920

Cc1ccc(-c2cc(C(=O)NC(C)(C)C)cc(-c3ccnn3C(C)(C)C)c2)cc1F

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
MAPK14 Q16539 1/20 0.36
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
JAK2 O60674 1/20 0.34
CACNA1B Q00975 1/20 0.34
RIPK1 Q13546 1/20 0.33
CHRNA7 P36544 1/20 0.33
P2RY14 Q15391 1/20 0.33
ALOX5AP P20292 2/20 0.32
FEN1 P39748 2/20 0.32
WDR5 P61964 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
SCHEMBL29727663 0.92 WDR5 (0.35) MAPK14HDAC1HDAC6JAK2CACNA1B
SCHEMBL19641893 0.92 WDR5 (0.35) MAPK14HDAC1HDAC6JAK2CACNA1B
SCHEMBL29727602 0.92 KDM5A (0.39) JAK2RIPK1P2RY14ALOX5APFEN1
SCHEMBL19641923 0.92 KDM5A (0.39) JAK2RIPK1P2RY14ALOX5APFEN1
SCHEMBL19642047 0.89 PDE4A (0.40) KMOPDE4APDE4BPDE4CPDE4D
SCHEMBL19207308 0.88 KMO (0.39) KMOPDE4APDE4BPDE4CPDE4D
SCHEMBL19641910 0.87 CNR2 (0.37) JAK2RIPK1P2RY14ALOX5APFEN1
SCHEMBL19641934 0.87 HTT (0.40) KMOCHRNA7
SCHEMBL19641997 0.86 CACNA1B (0.39) JAK2CACNA1BRIPK1P2RY14
SCHEMBL19641916 0.86 WDR5 (0.42) KMOPDE4APDE4BPDE4CPDE4D

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109071451-B Pyrazole compounds as EAAT3 inhibitors 豪夫迈·罗氏有限公司 2022-07-15 CN claimed
EP-3464246-B1 PYRAZOL COMPOUNDS AS EAAT3 INHIBITORS HOFFMANN LA ROCHE (CH) 2020-07-08 EP claimed
US-10457644-B2 Pyrazol compounds as EAAT3 inhibitors HOFFMAN-LA ROCHE INC. (US) 2019-10-29 US claimed
US-20190119218-A1 PYRAZOL COMPOUNDS AS EAAT3 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2019-04-25 US claimed
EP-3464246-A1 PYRAZOL COMPOUNDS AS EAAT3 INHIBITORS H. Hoffnabb-La Roche Ag (CH) 2019-04-10 EP claimed
WO-2017202896-A1 PYRAZOL COMPOUNDS AS EAAT3 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2017-11-30 WO claimed
CN-109071451-B Pyrazole compounds as EAAT3 inhibitors 豪夫迈·罗氏有限公司 2022-07-15 CN disclosed
EP-3464246-B1 PYRAZOL COMPOUNDS AS EAAT3 INHIBITORS HOFFMANN LA ROCHE (CH) 2020-07-08 EP disclosed
EP-3464246-B1 PYRAZOL COMPOUNDS AS EAAT3 INHIBITORS HOFFMANN LA ROCHE (CH) 2020-07-08 EP disclosed
US-10457644-B2 Pyrazol compounds as EAAT3 inhibitors HOFFMAN-LA ROCHE INC. (US) 2019-10-29 US disclosed
US-10457644-B2 Pyrazol compounds as EAAT3 inhibitors HOFFMAN-LA ROCHE INC. (US) 2019-10-29 US disclosed
US-20190119218-A1 PYRAZOL COMPOUNDS AS EAAT3 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2019-04-25 US disclosed
US-20190119218-A1 PYRAZOL COMPOUNDS AS EAAT3 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2019-04-25 US disclosed
EP-3464246-A1 PYRAZOL COMPOUNDS AS EAAT3 INHIBITORS H. Hoffnabb-La Roche Ag (CH) 2019-04-10 EP disclosed
WO-2017202896-A1 PYRAZOL COMPOUNDS AS EAAT3 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2017-11-30 WO disclosed
WO-2017202896-A1 PYRAZOL COMPOUNDS AS EAAT3 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2017-11-30 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-20190119218-A1 PYRAZOL COMPOUNDS AS EAAT3 INHIBITORS SLC1A1, SLC1A3, SLC1A2 KMO 2466/4885PDE4A 2338/4885PDE4B 1956/4885
US-10457644-B2 Pyrazol compounds as EAAT3 inhibitors SLC1A1, SLC1A3, SLC1A2 KMO 2466/4885PDE4A 2338/4885PDE4B 1956/4885

“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.