SCHEMBL2202029

SCHEMBL2202029

Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.59
KMT2A Q03164 3/20 0.56
NOTUM Q6P988 1/20 0.54
NPY5R Q15761 8/20 0.50
MAPT P10636 2/20 0.49
RAB9A P51151 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NR3C1 P04150 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL2200696 0.88 POLB (0.58) POLBKMT2ANOTUMNPY5RMEN1
SCHEMBL2200701 0.85 POLB (0.55) POLBKMT2ANOTUMNPY5RMAPT
SCHEMBL2201286 0.84 PDE4D (0.67) POLBMAPTRAB9AKDM4ENPC1
SCHEMBL2199944 0.83 POLB (0.53) POLBKMT2ANOTUMNPY5RMAPT
SCHEMBL2202145 0.83 POLB (0.56) POLBKMT2ANOTUMNPY5R
SCHEMBL2199984 0.82 POLB (0.52) POLBKMT2ANOTUMNPY5RMEN1
SCHEMBL2201779 0.82 KMT2A (0.58) POLBKMT2ANOTUMNPY5RMAPT
SCHEMBL2198785 0.82 POLB (0.52) POLBKMT2ANOTUMNPY5RMAPT
SCHEMBL2200191 0.82 RAB9A (0.57) KMT2ANOTUMNPY5RMAPTRAB9A
SCHEMBL2201389 0.82 LMNA (0.43) POLBKMT2AMAPTRAB9AMEN1

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.