SCHEMBL2012174

SCHEMBL2012174

CNC(=O)c1cccc(Br)c1C

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.50
GAA P10253 1/20 0.48
ALDH1A1 P00352 3/20 0.47
KMT2A Q03164 2/20 0.45
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
TP53 P04637 1/20 0.42
MTNR1A P48039 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HDAC2 Q92769 1/20 0.39

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
SCHEMBL28610687 0.86 HDAC8 (0.48) GAAALDH1A1KMT2AHPGDHSD17B10
SCHEMBL18190399 0.83 P2RX7 (0.50) GAAALDH1A1KMT2AHPGDHSD17B10
SCHEMBL1853517 0.82 ALDH1A1 (0.66) PLK1GAAALDH1A1KMT2AHPGD
SCHEMBL30339452 0.80 PLK1 (0.53) PLK1GAAALDH1A1KMT2AHPGD
SCHEMBL4155499 0.80 PLK1 (0.53) PLK1GAAALDH1A1KMT2AHPGD
SCHEMBL11089840 0.79 PRNP (0.47) GAAALDH1A1KMT2AHPGDHSD17B10
SCHEMBL2062590 0.79 PLK1 (0.49) PLK1GAAALDH1A1KMT2AHPGD
SCHEMBL145178 0.79 GAA (0.56) PLK1GAAALDH1A1KMT2AHPGD
SCHEMBL14164188 0.78 PLK1 (0.52) PLK1GAAALDH1A1KMT2AHPGD
SCHEMBL6469935 0.78 ALDH1A1 (0.40) ALDH1A1KMT2AHPGDHSD17B10SMN1; SMN2

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-8680096-B2 Diphenyl-pyrazolopyridine derivatives, preparation thereof, and use thereof as nuclear receptor not modulators SANOFI-AVENTIS (FR) 2014-03-25 US disclosed
EP-2507238-B1 DIPHENYL-PYRAZOLOPYRIDINE COMPOUNDS, THEIR PREPARATION AND THEIR APPLICATION AS MODULATORS OF THE NUCLEAR RECEPTOR NOT SANOFI SA (FR) 2013-07-31 EP disclosed
EP-2507238-A1 DIPHENYL-PYRAZOLOPYRDINE DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF AS NUCLEAR RECEPTOR NOT MODULATORS SANOFI (FR) 2012-10-10 EP disclosed
US-20120245164-A1 DIPHENYL-PYRAZOLOPYRIDINE DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF AS NUCLEAR RECEPTOR NOT MODULATORS SANOFI (FR) 2012-09-27 US disclosed
WO-2011067544-A1 DIPHENYL-PYRAZOLOPYRDINE DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF AS NUCLEAR RECEPTOR NOT MODULATORS SANOFI-AVENTIS (FR) 2011-06-09 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-20120245164-A1 DIPHENYL-PYRAZOLOPYRIDINE DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF AS NUCLEAR RECEPTOR NOT MODULATORS NR4A3, NCOR1, NR4A2 PLK1 4782/4885GAA 4872/4885ALDH1A1 2816/4885

“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.