SCHEMBL2200842

SCHEMBL2200842

CCOC(=O)c1c(-c2ccncc2)nn(-c2cccc(OC(F)(F)F)c2)c1C1CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.43
MAPK1 P28482 1/20 0.43
SCN9A Q15858 1/20 0.43
BRAF P15056 3/20 0.42
SLC5A1 P13866 4/20 0.41
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SLC34A1 Q06495 1/20 0.39
FAAH O00519 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
ELANE P08246 2/20 0.38
NOTUM Q6P988 1/20 0.38
PLAT P00750 1/20 0.38
PIM1 P11309 1/20 0.38
CLK2 P49760 1/20 0.38
DYRK1A Q13627 1/20 0.38
HASPIN Q8TF76 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
SCHEMBL2201758 0.90 SCN9A (0.42) NPSR1SCN9ASLC5A1ALDH1A1SLC34A1
SCHEMBL2200296 0.90 MAPT (0.46) NPSR1MAPK1BRAFALDH1A1FAAH
SCHEMBL2200824 0.88 PDE4D (0.47) NPSR1MAPK1SCN9ASLC5A1ROCK2
SCHEMBL2202900 0.88 NOTUM (0.43) BRAFSLC5A1ROCK2ROCK1NOTUM
SCHEMBL2199932 0.86 PDE4D (0.49) NPSR1SCN9ASLC5A1ALDH1A1SLC34A1
SCHEMBL2199422 0.82 SCN9A (0.45) NPSR1SCN9ASLC5A1ALDH1A1TP53
SCHEMBL2197308 0.81 SLC5A1 (0.41) NPSR1SLC5A1ALDH1A1SLC34A1POLB
SCHEMBL2200742 0.80 POLB (0.46) NPSR1ALDH1A1TP53POLBELANE
SCHEMBL2202883 0.79 CYP2C9 (0.42) SCN9AALDH1A1NOTUM
SCHEMBL2199120 0.79 NPY5R (0.41) NPSR1SCN9ASLC5A1ALDH1A1FAAH

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 NPSR1 431/4885MAPK1 868/4885SCN9A 3692/4885

“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.