SCHEMBL2201646

SCHEMBL2201646

Cc1c(C(=O)O)c(-c2ccncc2)nn1-c1cccc(OC(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
SCN9A Q15858 1/20 0.45
NPY5R Q15761 1/20 0.44
DYRK1A Q13627 4/20 0.44
SRC P12931 2/20 0.43
KDR P35968 2/20 0.43
BRAF P15056 1/20 0.43
CLK2 P49760 1/20 0.42
HASPIN Q8TF76 1/20 0.42
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
ALDH1A1 P00352 4/20 0.40
PDE10A Q9Y233 1/20 0.40
FLT1 P17948 1/20 0.40

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
SCHEMBL2200824 0.89 PDE4D (0.47) MEN1KMT2ASCN9ANPY5RDYRK1A
SCHEMBL2201990 0.88 MEN1 (0.52) MEN1KMT2ASCN9ANPY5RDYRK1A
SCHEMBL2201779 0.85 KMT2A (0.58) MEN1KMT2ANPY5RSRCKDR
SCHEMBL2202900 0.85 NOTUM (0.43) DYRK1ASRCKDRBRAFROCK2
SCHEMBL2200191 0.83 RAB9A (0.57) MEN1KMT2ASCN9ANPY5RNPSR1
SCHEMBL3695155 0.80 CYP2C9 (0.42) KMT2ASCN9ANPSR1
SCHEMBL2200842 0.79 NPSR1 (0.43) SCN9ADYRK1ABRAFCLK2HASPIN
SCHEMBL2202525 0.78 PDE4D (0.47) MEN1KMT2ASCN9ANPY5RBRAF
SCHEMBL2204423 0.77 NPY5R (0.47) MEN1KMT2ASCN9ANPY5RNPSR1
SCHEMBL2198107 0.76 MAPT (0.50) MEN1KMT2ANPY5RNPSR1MAPT

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 5 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
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
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 MEN1 4450/4885KMT2A 4057/4885SCN9A 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.