SCHEMBL13634003

SCHEMBL13634003

CCc1nc2c(C)cc(C)nc2n1Cc1ccc(CNCCN2CCCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GPR4 P46093 4/20 0.58
KCNH2 Q12809 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52

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
SCHEMBL4332634 0.87 GPR4 (0.54) GPR4KCNH2HRH3
SCHEMBL6046532 0.87 GPR4 (0.78) GPR4KCNH2HRH3
Fumaric Acid SCHEMBL6046514 0.81 GPR4 (0.69) GPR4
Fumaric Acid SCHEMBL6046516 0.81 GPR4 (0.69) GPR4
SCHEMBL4367080 0.80 GPR4 (0.54) GPR4
Oxalic Acid SCHEMBL5424215 0.80 GPR4 (0.48) GPR4
Oxalic Acid SCHEMBL5424218 0.80 GPR4 (0.48) GPR4
SCHEMBL4331430 0.79 GPR4 (0.56) GPR4
SCHEMBL4319342 0.78 GPR4 (0.58) GPR4KCNH2HRH3
SCHEMBL13578531 0.78 GPR4 (0.52) GPR4

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-20090291942-A1 IMIDAZO PYRIDINE DERIVATIVES TARACIDO IVAN CORNELLA 2009-11-26 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-20090291942-A1 IMIDAZO PYRIDINE DERIVATIVES FLT4, UACA, FLT1 GPR4 119/4885KCNH2 1427/4885HRH3 331/4885

“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.