SCHEMBL6512906

SCHEMBL6512906

CCCc1nc2ncccc2c(=O)n1Cc1ccccc1

nearest known ligand 0.86

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 5/20 0.86
PDE4B Q07343 5/20 0.86
PDE4C Q08493 5/20 0.86
PDE4D Q08499 5/20 0.86
RXFP1 Q9HBX9 1/20 0.68
LMNA P02545 2/20 0.49
ALDH1A1 P00352 2/20 0.49
TSHR P16473 1/20 0.49
TLR7 Q9NYK1 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
KIF11 P52732 1/20 0.46
ENPP2 Q13822 2/20 0.46
MAPT P10636 1/20 0.46
TP53 P04637 1/20 0.45

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
SCHEMBL5561428 0.85 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DRXFP1
SCHEMBL2348949 0.84 PDE4A (0.85) PDE4APDE4BPDE4CPDE4DRXFP1
SCHEMBL14367275 0.84 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DRXFP1
SCHEMBL5555670 0.81 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DRXFP1
SCHEMBL18292422 0.80 ENPP2 (0.72) PDE4APDE4BPDE4CPDE4DRXFP1
SCHEMBL4092061 0.79 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL5563021 0.79 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL4074953 0.78 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DTLR7
SCHEMBL6518180 0.78 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL5353533 0.77 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DLMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050203110-A1 Mitotic kinesin inhibitors COLEMAN PAUL J (US) 2005-09-15 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-20050203110-A1 Mitotic kinesin inhibitors KIF2C, KIF5B, KIF18B PDE4A 1969/4885PDE4B 2199/4885PDE4C 2049/4885

“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.