SCHEMBL4324697

SCHEMBL4324697

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

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.54
CNR1 P21554 6/20 0.54
DRD4 P21917 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
HTR4 Q13639 1/20 0.35
KMT2A Q03164 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
DRD3 P35462 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL4326239 0.94 CNR2 (0.51) CNR2CNR1DRD4SIGMAR1HTR4
SCHEMBL4324702 0.92 CNR2 (0.64) CNR2CNR1DRD4SIGMAR1HTR4
SCHEMBL4320289 0.92 CNR1 (0.49) CNR2CNR1DRD4SIGMAR1HTR4
SCHEMBL4325964 0.90 CNR2 (0.52) CNR2CNR1HTR4KMT2AKDM4E
SCHEMBL4325256 0.88 CNR1 (0.56) CNR2CNR1
SCHEMBL4334584 0.87 CNR2 (0.57) CNR2CNR1HTR4KMT2ANPC1
SCHEMBL4326244 0.87 CNR2 (0.60) CNR2CNR1DRD4SIGMAR1KMT2A
SCHEMBL4334740 0.86 CNR1 (0.65) CNR2CNR1NPC1RAB9AHSD17B10
SCHEMBL4320293 0.85 CNR1 (0.57) CNR2CNR1DRD4SIGMAR1KMT2A
SCHEMBL4327319 0.84 CNR2 (0.54) CNR2CNR1HTR4

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-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 2/4885DRD4 782/4885

“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.