SCHEMBL4319969

SCHEMBL4319969

O=C(NC(c1cccnc1)C(F)(F)F)c1nc(Cc2cccnc2)n2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.48
CNR1 P21554 4/20 0.46
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PDE4A P27815 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
PDE2A O00408 1/20 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
SCHEMBL4328065 0.89 CNR2 (0.58) CNR2CNR1KDM4EALDH1A1HSD17B10
SCHEMBL4325229 0.84 CNR2 (0.51) CNR2CNR1PDE4APDE4BPDE4C
SCHEMBL4318734 0.83 CNR2 (0.49) CNR2CNR1ALDH1A1
SCHEMBL13578263 0.83 CNR2 (0.55) CNR2CNR1
SCHEMBL13578251 0.81 CNR2 (0.46) CNR2CNR1
SCHEMBL4328005 0.81 CNR2 (0.59) CNR2CNR1
SCHEMBL13578108 0.81 CNR2 (0.48) CNR2CNR1PDE4APDE4BPDE4C
SCHEMBL4335030 0.81 CNR2 (0.59) CNR2CNR1KDM4EALDH1A1HSD17B10
Trifluoroacetic Acid SCHEMBL4327606 0.81 CNR2 (0.53) CNR2CNR1
SCHEMBL4335813 0.79 PDE4A (0.52) PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325936-A1 IMIDAZOPYRIDINE ANALOGS AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES MERCK & CO., INC. 2009-12-31 US disclosed
US-20090325936-A1 IMIDAZOPYRIDINE ANALOGS AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES MERCK & CO., INC. 2009-12-31 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-20090325936-A1 IMIDAZOPYRIDINE ANALOGS AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES CNR2, CNR1, TRPV1 CNR2 1/4885CNR1 2/4885KDM4E 2430/4885

“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.