SCHEMBL2197799

SCHEMBL2197799

O=C(c1c(-c2ccncc2)nn(-c2cccc(OC(F)(F)F)c2)c1C1CC1)N1CCC(N2CCC[C@H]2CO)CC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 9/20 0.36
SCN9A Q15858 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
HSD11B1 P28845 1/20 0.35
BCL9 O00512 1/20 0.35
CTNNB1 P35222 1/20 0.35
MGLL Q99685 1/20 0.34
NOTUM Q6P988 1/20 0.34
EPHX2 P34913 1/20 0.34
SLC6A7 Q99884 1/20 0.34
BTK Q06187 1/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
MAPK7 Q13164 1/20 0.33
ITK Q08881 1/20 0.33

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
SCHEMBL2197802 1.00 SLC5A1 (0.36) SLC5A1SCN9ASCN10AHSD11B1BCL9
SCHEMBL2198768 0.91 KMT2A (0.36) SLC5A1SCN9ASCN10AHSD11B1BCL9
SCHEMBL2198775 0.91 KMT2A (0.36) SLC5A1SCN9ASCN10AHSD11B1BCL9
SCHEMBL2200270 0.90 TRPV1 (0.40) MGLL
SCHEMBL2200263 0.90 TRPV1 (0.40) MGLL
SCHEMBL2201309 0.87 SCN9A (0.39) SLC5A1SCN9ASCN10AHSD11B1MGLL
SCHEMBL2198840 0.87 SCN9A (0.39) SLC5A1SCN9ASCN10AHSD11B1MGLL
SCHEMBL2198832 0.87 SCN9A (0.39) SLC5A1SCN9ASCN10AHSD11B1MGLL
SCHEMBL2202883 0.87 CYP2C9 (0.42) SCN9ASCN10AHSD11B1MGLLNOTUM
SCHEMBL2203381 0.81 KMT2A (0.47) SCN9ASCN10AHSD11B1MGLLNOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101765430-A Novel pyrazole derivatives HOFFMANN LA ROCHE 2010-06-30 CN claimed
EP-2182953-A2 NEW PYRAZOL DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-05-12 EP claimed
US-20090029963-A1 PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 US claimed
WO-2009013211-A2 NEW PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 WO claimed
US-7977358-B2 Pyrazol derivatives HOFFMANN-LA ROCHE INC. (US) 2011-07-12 US disclosed
US-7977358-B2 Pyrazol derivatives HOFFMANN-LA ROCHE INC. (US) 2011-07-12 US disclosed
US-7977358-B2 Pyrazol derivatives HOFFMANN-LA ROCHE INC. (US) 2011-07-12 US disclosed
CN-101765430-A Novel pyrazole derivatives HOFFMANN LA ROCHE 2010-06-30 CN disclosed
EP-2182953-A2 NEW PYRAZOL DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-05-12 EP disclosed
US-20090029963-A1 PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 US disclosed
US-20090029963-A1 PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 US disclosed
US-20090029963-A1 PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 US disclosed
WO-2009013211-A2 NEW PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 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 (1 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-20090029963-A1 PYRAZOL DERIVATIVES CCR1, CCR3, CCRL2 SLC5A1 896/4885SCN9A 3692/4885SCN10A 3975/4885

“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.