SCHEMBL2201528

SCHEMBL2201528

O=C(O)c1c(C2CC2)nn(-c2cccc(OC(F)(F)F)c2)c1C1CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.48
FFAR4 Q5NUL3 1/20 0.42
NPY5R Q15761 1/20 0.42
SLC5A1 P13866 10/20 0.40
DHODH Q02127 1/20 0.39
PDE4B Q07343 2/20 0.39
PDE4D Q08499 2/20 0.39
PIM1 P11309 1/20 0.39
PIM3 Q86V86 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
KCNH2 Q12809 1/20 0.39
CSNK1E P49674 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4C Q08493 1/20 0.39
MAPK7 Q13164 1/20 0.38

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
SCHEMBL2204423 0.89 NPY5R (0.47) NOTUMFFAR4NPY5RSLC5A1DHODH
SCHEMBL2203173 0.89 NPY5R (0.45) NOTUMFFAR4NPY5RSLC5A1PDE4B
SCHEMBL2198847 0.88 NOTUM (0.47) NOTUMFFAR4NPY5RSLC5A1DHODH
SCHEMBL2199917 0.85 POLB (0.51) NOTUMNPY5R
SCHEMBL27810012 0.85 NOTUM (0.45) NOTUMFFAR4NPY5RSLC5A1DHODH
SCHEMBL2202900 0.83 NOTUM (0.43) NOTUMSLC5A1DHODHPDE4BPDE4D
SCHEMBL2201297 0.81 L3MBTL3 (0.43) NOTUMMAPK7
SCHEMBL2200720 0.80 ALDH1A1 (0.49) NOTUMFFAR4NPY5RSLC5A1PDE4B
SCHEMBL27810013 0.79 NOTUM (0.43) NOTUMNPY5RSLC5A1PDE4BPDE4D
SCHEMBL2199932 0.78 PDE4D (0.49) NOTUMNPY5RSLC5A1PDE4BPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977358-B2 Pyrazol derivatives HOFFMANN-LA ROCHE INC. (US) 2011-07-12 US 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
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 NOTUM 4406/4885FFAR4 511/4885NPY5R 277/4885

“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.