SCHEMBL2199198

SCHEMBL2199198

CCOC(=O)c1c(C)nn(-c2ccc(Cl)c(Cl)c2)c1C

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 4/20 0.67
PDE4B Q07343 2/20 0.64
P2RY12 Q9H244 2/20 0.63
NOTUM Q6P988 1/20 0.53
ALDH1A1 P00352 3/20 0.53
SLC34A1 Q06495 1/20 0.51
TP53 P04637 1/20 0.50
GABRA2 P47869 1/20 0.48
GABRB2 P47870 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SIGMAR1 Q99720 1/20 0.47

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
SCHEMBL8341970 0.85 P2RY12 (0.82) PDE4DPDE4BP2RY12ALDH1A1SLC34A1
SCHEMBL2200071 0.85 PDE4D (0.74) PDE4DPDE4BP2RY12ALDH1A1TP53
SCHEMBL2201331 0.82 LMNA (0.60) NOTUMALDH1A1MAPTRAB9ASIGMAR1
SCHEMBL6070059 0.82 PDE4D (0.80) PDE4DPDE4BP2RY12ALDH1A1SLC34A1
SCHEMBL16989389 0.81 PDE4D (0.78) PDE4DPDE4BP2RY12ALDH1A1SLC34A1
SCHEMBL6070622 0.81 PDE4D (0.76) PDE4DPDE4BP2RY12ALDH1A1MAPT
SCHEMBL4314951 0.80 PDE4D (1.00) PDE4DPDE4BP2RY12ALDH1A1SLC34A1
SCHEMBL6052477 0.80 PDE4D (0.76) PDE4DPDE4BP2RY12ALDH1A1SLC34A1
SCHEMBL6070076 0.80 PDE4D (0.76) PDE4DPDE4BP2RY12ALDH1A1SLC34A1
SCHEMBL6069548 0.80 PDE4D (1.00) PDE4DPDE4BP2RY12ALDH1A1MAPT

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 607/4885P2RY12 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.