SCHEMBL2201758

SCHEMBL2201758

CCOC(=O)c1c(-c2cncnc2)nn(-c2cccc(OC(F)(F)F)c2)c1C1CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.42
SLC5A1 P13866 7/20 0.40
TP53 P04637 2/20 0.40
POLB P06746 1/20 0.40
DGAT1 O75907 1/20 0.38
SOAT1 P35610 1/20 0.38
ALDH1A1 P00352 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SLC34A1 Q06495 1/20 0.38
ELANE P08246 2/20 0.38
NOTUM Q6P988 1/20 0.38
PIM1 P11309 1/20 0.38
NPY5R Q15761 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4D Q08499 1/20 0.37
DHODH Q02127 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL2197308 0.91 SLC5A1 (0.41) SLC5A1POLBDGAT1SOAT1ALDH1A1
SCHEMBL2200742 0.90 POLB (0.46) TP53POLBALDH1A1NPSR1ELANE
SCHEMBL2200842 0.90 NPSR1 (0.43) SCN9ASLC5A1TP53POLBALDH1A1
SCHEMBL2202525 0.88 PDE4D (0.47) SCN9ASLC5A1TP53ALDH1A1NPSR1
SCHEMBL2199932 0.85 PDE4D (0.49) SCN9ASLC5A1TP53POLBALDH1A1
SCHEMBL2199422 0.81 SCN9A (0.45) SCN9ASLC5A1TP53POLBALDH1A1
SCHEMBL2200296 0.80 MAPT (0.46) TP53POLBALDH1A1NPSR1ELANE
SCHEMBL2203688 0.80 L3MBTL3 (0.39) SCN9ANOTUM
SCHEMBL2201990 0.79 MEN1 (0.52) SCN9ASLC5A1ALDH1A1NPSR1NOTUM
SCHEMBL2199120 0.79 NPY5R (0.41) SCN9ASLC5A1TP53POLBALDH1A1

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 SCN9A 3692/4885SLC5A1 896/4885TP53 3028/4885

“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.