SCHEMBL4324702

SCHEMBL4324702

Cc1cc(C)nc(NC(=O)c2nc(CN3CCS(=O)(=O)CC3)c3ccccn23)n1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.64
CNR1 P21554 5/20 0.64
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
JAK1 P23458 2/20 0.37
DRD4 P21917 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
HTR4 Q13639 1/20 0.35
MAPK14 Q16539 1/20 0.35
JAK2 O60674 1/20 0.35
TYK2 P29597 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL4326244 0.94 CNR2 (0.60) CNR2CNR1NPC1ALDH1A1RAB9A
SCHEMBL4324697 0.92 CNR2 (0.54) CNR2CNR1NPC1RAB9ADRD4
SCHEMBL4320293 0.92 CNR1 (0.57) CNR2CNR1NPC1ALDH1A1RAB9A
SCHEMBL13578117 0.90 CNR1 (0.61) CNR2CNR1NPC1ALDH1A1RAB9A
SCHEMBL13578118 0.89 CNR1 (0.62) CNR2CNR1NPC1ALDH1A1RAB9A
SCHEMBL4325260 0.88 CNR1 (0.66) CNR2CNR1
SCHEMBL13578119 0.88 CNR2 (0.63) CNR2CNR1NPC1ALDH1A1RAB9A
SCHEMBL4334587 0.87 CNR2 (0.67) CNR2CNR1JAK1HTR4JAK2
SCHEMBL4326239 0.87 CNR2 (0.51) CNR2CNR1DRD4SIGMAR1HTR4
SCHEMBL4334731 0.86 CNR1 (0.76) CNR2CNR1NPC1ALDH1A1RAB9A

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 2/4885NPC1 1236/4885

“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.