SCHEMBL1483150

SCHEMBL1483150

N#Cc1ccc(C#Cc2ccccc2-c2nc3ccccc3n2CC2CCC(F)(F)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 2/20 0.39
RPS6KB1 P23443 2/20 0.39
GSK3B P49841 2/20 0.39
ROCK1 Q13464 2/20 0.39
BRD4 O60885 6/20 0.36
GHSR Q92847 1/20 0.35
KCNH2 Q12809 2/20 0.35
BAZ2A Q9UIF9 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
OPRK1 P41145 1/20 0.34
PDE6D O43924 2/20 0.34
ALOX5AP P20292 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
DRD2 P14416 1/20 0.33

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
SCHEMBL1482700 0.88 PRKACA (0.44) PRKACARPS6KB1GSK3BROCK1BRD4
SCHEMBL1482589 0.87 PRKACA (0.42) PRKACARPS6KB1GSK3BROCK1BRD4
SCHEMBL1482750 0.83 KCNH2 (0.41) PRKACARPS6KB1GSK3BROCK1BRD4
SCHEMBL1482134 0.79 RXRA (0.43) BRD4KCNH2BAZ2ATP53TSHR
SCHEMBL1482478 0.79 CNR2 (0.40) GHSRKCNH2CNR2
SCHEMBL1483068 0.78 ALOX5 (0.44) PRKACARPS6KB1GSK3BROCK1BRD4
SCHEMBL1482795 0.78 PRKACA (0.46) PRKACARPS6KB1GSK3BROCK1BRD4
SCHEMBL1483182 0.76 KCNH2 (0.48) PRKACARPS6KB1GSK3BROCK1KCNH2
SCHEMBL1482351 0.71 KCNH2 (0.44) PRKACARPS6KB1GSK3BROCK1KCNH2
SCHEMBL1484292 0.70 KCNH2 (0.42) PRKACARPS6KB1GSK3BROCK1BRD4

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-8309581-B2 Benzimidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2012-11-13 US disclosed
EP-2483247-A1 NEW BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS FXR AGONISTS F. Hoffmann-La Roche AG (CH) 2012-08-08 EP disclosed
WO-2011039130-A1 NEW BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS FXR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2011-04-07 WO disclosed
US-20110077273-A1 NEW BENZIMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 US 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-20110077273-A1 NEW BENZIMIDAZOLE DERIVATIVES BRI3BP, CYP3A4, RB1 PRKACA 2884/4885RPS6KB1 478/4885GSK3B 2582/4885

“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.