SCHEMBL2201159

SCHEMBL2201159

CCOC(=O)c1c(C)nn(-c2cc(Cl)ccc2OC)c1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.62
PDE4D Q08499 4/20 0.57
P2RY12 Q9H244 2/20 0.55
LMNA P02545 3/20 0.50
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TSHR P16473 2/20 0.46
HTT P42858 1/20 0.46
HPGD P15428 3/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SLC34A1 Q06495 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALOX15 P16050 1/20 0.44
CASP1 P29466 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL2202595 0.85 LMNA (0.68) PDE4BLMNAALDH1A1MEN1KMT2A
SCHEMBL2201064 0.83 PDE4D (0.54) PDE4BPDE4DP2RY12LMNAMEN1
SCHEMBL30900068 0.83 PDE4B (0.71) PDE4BPDE4DP2RY12ALDH1A1MEN1
SCHEMBL14691529 0.79 HTT (0.53) LMNAALDH1A1KMT2ATSHRHTT
SCHEMBL8341970 0.79 P2RY12 (0.82) PDE4BPDE4DP2RY12LMNAALDH1A1
SCHEMBL2200071 0.78 PDE4D (0.74) PDE4BPDE4DP2RY12LMNAALDH1A1
SCHEMBL4316847 0.77 PDE4B (1.00) PDE4BPDE4DP2RY12LMNAALDH1A1
SCHEMBL20604097 0.74 PDE4B (0.62) PDE4BPDE4DP2RY12ALDH1A1SLC34A1
SCHEMBL2201414 0.73 L3MBTL3 (0.42) LMNAALDH1A1KMT2AHTTKDM4E
SCHEMBL2199198 0.73 PDE4D (0.67) PDE4BPDE4DP2RY12ALDH1A1HTT

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 PDE4B 607/4885PDE4D 814/4885P2RY12 268/4885

“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.