SCHEMBL4324652

SCHEMBL4324652

O=C(Nc1ccc(C(F)(F)F)cn1)c1nc(CN2CCS(=O)(=O)CC2)c2ccccn12

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.73
CNR1 P21554 5/20 0.73
HIF1A Q16665 1/20 0.47
EPAS1 Q99814 1/20 0.47
F10 P00742 1/20 0.40
PTGS1 P23219 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
GAA P10253 1/20 0.38
SCN9A Q15858 2/20 0.38
LMNA P02545 1/20 0.37
DYRK1A Q13627 1/20 0.37
FGFR4 P22455 1/20 0.37
MAPKAPK2 P49137 1/20 0.37

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
SCHEMBL4324651 0.93 CNR2 (0.63) CNR2CNR1HIF1AEPAS1F10
SCHEMBL4325110 0.90 CNR2 (0.73) CNR2CNR1HIF1AEPAS1F10
SCHEMBL4334783 0.87 CNR1 (0.66) CNR2CNR1F10NPC1RAB9A
SCHEMBL4333044 0.87 CNR1 (0.66) CNR2CNR1F10NPC1RAB9A
SCHEMBL4327707 0.85 CNR1 (0.73) CNR2CNR1NPC1RAB9AGAA
SCHEMBL4324246 0.84 CNR1 (0.63) CNR2CNR1FGFR4
SCHEMBL4339536 0.84 CNR2 (1.00) CNR2CNR1LMNADYRK1A
SCHEMBL4328048 0.81 CNR1 (0.70) CNR2CNR1NPC1RAB9A
SCHEMBL4331769 0.81 CNR2 (0.75) CNR2CNR1GAA
SCHEMBL4334587 0.81 CNR2 (0.67) CNR2CNR1

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 2/4885HIF1A 383/4885

“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.