SCHEMBL2200696

SCHEMBL2200696

Cc1c(C(=O)O)c(C(F)(F)F)nn1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.58
KMT2A Q03164 3/20 0.55
NOTUM Q6P988 1/20 0.53
NPY5R Q15761 10/20 0.49
ALDH1A1 P00352 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL2202029 0.88 POLB (0.59) POLBKMT2ANOTUMNPY5RMEN1
SCHEMBL14482170 0.86 MEN1 (0.60) POLBKMT2ANOTUMMEN1SMN1; SMN2
SCHEMBL2201029 0.84 PDE4D (0.53) POLBKMT2ANPY5RALDH1A1MEN1
SCHEMBL2202145 0.82 POLB (0.56) POLBKMT2ANOTUMNPY5R
SCHEMBL2201779 0.81 KMT2A (0.58) POLBKMT2ANOTUMNPY5RALDH1A1
SCHEMBL2199984 0.81 POLB (0.52) POLBKMT2ANOTUMNPY5RMEN1
SCHEMBL2201707 0.80 KMT2A (0.54) POLBKMT2ANOTUMNPY5RALDH1A1
SCHEMBL2203232 0.78 ALDH1A1 (0.46) POLBKMT2AALDH1A1L3MBTL1MEN1
SCHEMBL10577265 0.77 MEN1 (0.51) POLBKMT2AALDH1A1L3MBTL1MEN1
SCHEMBL2200701 0.77 POLB (0.55) POLBKMT2ANOTUMNPY5RMEN1

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 5 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
CN-101765430-A Novel pyrazole derivatives HOFFMANN LA ROCHE 2010-06-30 CN 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 POLB 4350/4885KMT2A 4057/4885NOTUM 4406/4885

“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.