SCHEMBL19641908

SCHEMBL19641908

CC(C)(C)NC(=O)c1cc(-c2ccc(F)cc2)cc(-c2ccnn2CC2CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.39
BRD4 O60885 2/20 0.37
CREBBP Q92793 2/20 0.37
CRHR1 P34998 2/20 0.37
CRHR2 Q13324 1/20 0.37
CACNA1H O95180 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
CNR2 P34972 2/20 0.36
KDM4C Q9H3R0 1/20 0.36
DGAT1 O75907 1/20 0.35
CNR1 P21554 1/20 0.35
NR3C2 P08235 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
ACKR3 P25106 1/20 0.35
PTGS2 P35354 1/20 0.35
ANO1 Q5XXA6 1/20 0.34
KDM1A O60341 1/20 0.34
USP30 Q70CQ3 1/20 0.34

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
SCHEMBL19642044 0.90 CRHR1 (0.43) PDE4DCRHR1CRHR2
SCHEMBL19641945 0.90 CNR1 (0.39) PDE4DCRHR1CACNA1HCNR2KDM4C
SCHEMBL19641955 0.87 ABL1 (0.40) HDAC1HDAC2CNR2KDM4CNR3C2
SCHEMBL19207316 0.87 PDE4D (0.40) PDE4DBRD4CREBBPCRHR1CRHR2
SCHEMBL19641915 0.83 NR3C2 (0.39) PDE4DBRD4CACNA1HCNR2KDM4C
SCHEMBL19641910 0.80 CNR2 (0.37) CNR2KDM4CANO1
SCHEMBL19641948 0.79 NR3C2 (0.42) KDM4CNR3C2ANO1
SCHEMBL19207315 0.77 CRHR1 (0.42) PDE4DCRHR1CRHR2
SCHEMBL19207255 0.77 CNR1 (0.40) PDE4DCRHR1CRHR2KDM4CCNR1
SCHEMBL28263874 0.77 IKBKB (0.41) BRD4CREBBPCRHR1CRHR2KDM4C

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 PDE4D 2412/4885BRD4 583/4885CREBBP 385/4885
US-10457644-B2 Pyrazol compounds as EAAT3 inhibitors SLC1A1, SLC1A3, SLC1A2 PDE4D 2412/4885BRD4 583/4885CREBBP 385/4885

“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.