SCHEMBL2200430

SCHEMBL2200430

CCOC(=O)c1c(C)nn(-c2cccc(C(F)(F)F)c2)c1C1CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
LMNA P02545 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
APP P05067 1/20 0.49
ADORA1 P30542 1/20 0.49
PDE4D Q08499 2/20 0.48
PDE4B Q07343 1/20 0.48
POLB P06746 2/20 0.47
TP53 P04637 1/20 0.47
ALDH1A1 P00352 2/20 0.45
CYP2C9 P11712 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ELANE P08246 4/20 0.44
NPY5R Q15761 1/20 0.43
CYP3A4 P08684 1/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
MAPK1 P28482 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
SCHEMBL2199932 0.89 PDE4D (0.49) PDE4DPDE4BPOLBTP53ALDH1A1
SCHEMBL2199944 0.86 POLB (0.53) MAPTLMNASMN1; SMN2POLBNPY5R
SCHEMBL2200296 0.86 MAPT (0.46) MAPTLMNASMN1; SMN2APPADORA1
SCHEMBL2200742 0.85 POLB (0.46) MAPTLMNASMN1; SMN2APPADORA1
SCHEMBL2201286 0.85 PDE4D (0.67) MAPTLMNASMN1; SMN2APPADORA1
SCHEMBL2201988 0.80 MAPT (0.50) MAPTLMNASMN1; SMN2APPADORA1
SCHEMBL2198717 0.79 POLB (0.46) MAPTLMNAPOLBTP53ALDH1A1
SCHEMBL2200100 0.79 KMT2A (0.48) MAPTLMNAPOLBTP53CYP2C9
SCHEMBL2201029 0.78 PDE4D (0.53) MAPTLMNASMN1; SMN2APPADORA1
SCHEMBL2199422 0.77 SCN9A (0.45) MAPTAPPADORA1PDE4DPDE4B

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 MAPT 4214/4885LMNA 4701/4885SMN1; SMN2 4368/4885

“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.