SCHEMBL2201064

SCHEMBL2201064

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

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 4/20 0.54
PDE4B Q07343 2/20 0.53
P2RY12 Q9H244 2/20 0.48
SLC34A1 Q06495 3/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NR1I2 O75469 2/20 0.45
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PDE5A O76074 1/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
SLC5A1 P13866 1/20 0.41
SLC5A2 P31639 1/20 0.41

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
SCHEMBL2200565 0.86 LMNA (0.48) MEN1KMT2ANR1I2LMNASMN1; SMN2
SCHEMBL2201159 0.83 PDE4B (0.62) PDE4DPDE4BP2RY12SLC34A1MEN1
SCHEMBL30900068 0.80 PDE4B (0.71) PDE4DPDE4BP2RY12MEN1KMT2A
SCHEMBL5904534 0.80 PDE4D (0.70) PDE4DPDE4BP2RY12SLC34A1NPSR1
SCHEMBL2201222 0.79 PDE4D (0.67) PDE4DPDE4BP2RY12SLC34A1MEN1
SCHEMBL2201286 0.79 PDE4D (0.67) PDE4DPDE4BP2RY12NPSR1NPC1
SCHEMBL2201663 0.75 TACR1 (0.42) KMT2ANR1I2
SCHEMBL2199926 0.74 PDE4D (0.57) PDE4DPDE4BP2RY12SLC34A1NPC1
SCHEMBL2199963 0.73 PDE4D (0.62) PDE4DPDE4BP2RY12SLC34A1NPC1
SCHEMBL13506435 0.72 PDE4B (0.48) PDE4DPDE4BSLC34A1MEN1KMT2A

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.