SCHEMBL2197308

SCHEMBL2197308

CCOC(=O)c1c(-c2cncnc2)nn(-c2ccc(OC(F)(F)F)cc2)c1C1CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 1/20 0.41
SLC5A2 P31639 1/20 0.41
MAPT P10636 1/20 0.41
SLC34A1 Q06495 2/20 0.40
PDE4D Q08499 1/20 0.40
PPARD Q03181 2/20 0.38
ABL1 P00519 5/20 0.38
POLB P06746 2/20 0.38
DGAT1 O75907 1/20 0.38
SOAT1 P35610 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ELANE P08246 1/20 0.36
GCGR P47871 1/20 0.36

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
SCHEMBL2201758 0.91 SCN9A (0.42) SLC5A1SLC34A1PDE4DPOLBDGAT1
SCHEMBL2200742 0.83 POLB (0.46) MAPTPOLBMEN1ALDH1A1LMNA
SCHEMBL2200842 0.81 NPSR1 (0.43) SLC5A1SLC34A1POLBALDH1A1NPSR1
SCHEMBL2201291 0.79 MAPK7 (0.38) ABL1GCGR
SCHEMBL2202525 0.78 PDE4D (0.47) SLC5A1SLC34A1PDE4DABL1MEN1
SCHEMBL2200520 0.75 ALDH1A1 (0.49) MAPTPDE4DPOLBALDH1A1SMN1; SMN2
SCHEMBL2199932 0.75 PDE4D (0.49) SLC5A1SLC34A1PDE4DPOLBALDH1A1
SCHEMBL2200296 0.73 MAPT (0.46) MAPTPOLBMEN1ALDH1A1LMNA
SCHEMBL22658134 0.72 PDE4D (0.54) MAPTSLC34A1PDE4DPOLBALDH1A1
SCHEMBL1719337 0.72 ABL1 (0.43) PPARDABL1POLB

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 SLC5A1 896/4885SLC5A2 1055/4885MAPT 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.