SCHEMBL4425825

SCHEMBL4425825

Cc1c(Cl)nc(C2CC2C)nc1Cl

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 13/20 0.56
CHRM3 P20309 2/20 0.36
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 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
SCHEMBL4423256 0.79 PDE10A (0.61) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL4425083 0.73 CHRM3 (0.37) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL4425450 0.73 CHRM3 (0.36) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL275864 0.71 PDE10A (1.00) PDE10A
SCHEMBL4419024 0.68 PDE10A (0.83) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL4421489 0.68 PDE10A (0.83) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL4419861 0.64 CHRM3 (0.37) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL812036 0.63 PDE10A (0.48) PDE10A
SCHEMBL275977 0.63 PDE10A (0.48) PDE10A
SCHEMBL6033787 0.60 PDE10A (1.00) PDE10A

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-20060074068-A1 Chemical compounds with dual activity, processes for their preparation and pharmaceutical compositions UCB, S.A. (BE) 2006-04-06 US claimed
US-7544675-B2 Chemical compounds with dual activity, processes for their preparation and pharmaceutical compositions UCB, S.A. (BE) 2009-06-09 US disclosed
US-20060074068-A1 Chemical compounds with dual activity, processes for their preparation and pharmaceutical compositions UCB, S.A. (BE) 2006-04-06 US disclosed
EP-1499598-A1 CHEMICAL COMPOUNDS WITH DUAL ACTIVITY, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS UCB, S.A. (BE) 2005-01-26 EP disclosed
WO-2003087064-A1 CHEMICAL COMPOUNDS WITH DUAL ACTIVITY, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS UCB, S.A. (BE) 2003-10-23 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-20060074068-A1 Chemical compounds with dual activity, processes for their preparation and pharmaceutical compositions PDE7A, CHRM3, PDE4B PDE10A 27/4885CHRM3 2/4885PDE4A 5/4885

“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.