SCHEMBL2200666

SCHEMBL2200666

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
POLB P06746 2/20 0.48
MAPT P10636 4/20 0.47
APP P05067 1/20 0.47
ADORA1 P30542 1/20 0.47
PDE4D Q08499 2/20 0.47
PDE4B Q07343 1/20 0.46
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TP53 P04637 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
NPY5R Q15761 1/20 0.42

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
SCHEMBL2198107 0.89 MAPT (0.50) LMNAPOLBMAPTAPPADORA1
SCHEMBL2202525 0.88 PDE4D (0.47) PDE4DPDE4BALDH1A1KDM4ENPSR1
SCHEMBL2200742 0.87 POLB (0.46) LMNAPOLBMAPTAPPADORA1
SCHEMBL2201707 0.87 KMT2A (0.54) LMNAPOLBMAPTALDH1A1NPSR1
SCHEMBL2201286 0.83 PDE4D (0.67) LMNAPOLBMAPTAPPADORA1
SCHEMBL2200984 0.83 PDE4D (0.41) MAPTPDE4DPDE4BALDH1A1KDM4E
SCHEMBL2201029 0.82 PDE4D (0.53) LMNAPOLBMAPTAPPADORA1
SCHEMBL2197562 0.79 MAPT (0.49) LMNAPOLBMAPTAPPADORA1
SCHEMBL13973732 0.78 CNR2 (0.38) LMNAPOLBMAPTSMN1; SMN2KMT2A
SCHEMBL2200824 0.77 PDE4D (0.47) PDE4DPDE4BALDH1A1KDM4ENPSR1

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 LMNA 4701/4885POLB 4350/4885MAPT 4214/4885

“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.