SCHEMBL2202525

SCHEMBL2202525

CCOC(=O)c1c(-c2cncnc2)nn(-c2cccc(OC(F)(F)F)c2)c1C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 4/20 0.47
PDE4B Q07343 1/20 0.46
ALDH1A1 P00352 3/20 0.45
SCN9A Q15858 2/20 0.43
SLC34A1 Q06495 2/20 0.42
NPY5R Q15761 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
ELANE P08246 2/20 0.40
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
BRAF P15056 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ABL1 P00519 1/20 0.38
SLC5A1 P13866 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
SCHEMBL2200824 0.89 PDE4D (0.47) PDE4DPDE4BALDH1A1SCN9ASLC34A1
SCHEMBL2201990 0.89 MEN1 (0.52) ALDH1A1SCN9ANPY5RNPSR1MEN1
SCHEMBL2200666 0.88 LMNA (0.48) PDE4DPDE4BALDH1A1NPY5RNPSR1
SCHEMBL2201758 0.88 SCN9A (0.42) PDE4DPDE4BALDH1A1SCN9ASLC34A1
SCHEMBL2199384 0.83 PDE4D (0.67) PDE4DPDE4BALDH1A1SLC34A1NPY5R
SCHEMBL2200984 0.81 PDE4D (0.41) PDE4DPDE4BALDH1A1SLC34A1KDM4E
SCHEMBL2206255 0.78 KMT2A (0.39) SCN9ANPSR1KMT2A
SCHEMBL2197308 0.78 SLC5A1 (0.41) PDE4DALDH1A1SLC34A1NPSR1ELANE
SCHEMBL2200720 0.78 ALDH1A1 (0.49) PDE4DPDE4BALDH1A1SCN9ASLC34A1
SCHEMBL2200742 0.78 POLB (0.46) ALDH1A1NPY5RNPSR1ELANEKDM4E

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 PDE4D 814/4885PDE4B 607/4885ALDH1A1 1476/4885

“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.