SCHEMBL4331764

SCHEMBL4331764

O=C(Nc1nccc(C(F)(F)F)n1)c1nc(CN2CCS(O)(O)CC2)c2ccccn12

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.65
CNR1 P21554 6/20 0.65
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
SYK P43405 3/20 0.36
TAS2R14 Q9NYV8 1/20 0.36
IDH2 P48735 1/20 0.34
GAA P10253 1/20 0.34
CHRM4 P08173 1/20 0.34
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
CDK4 P11802 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
ACKR3 P25106 1/20 0.33

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
SCHEMBL4331769 0.93 CNR2 (0.75) CNR2CNR1PRMT5WDR77SYK
SCHEMBL4323374 0.89 CNR2 (0.75) CNR2CNR1PRMT5WDR77SYK
SCHEMBL4334584 0.88 CNR2 (0.57) CNR2CNR1
SCHEMBL4325964 0.87 CNR2 (0.52) CNR2CNR1GAACDK4CCNE1
SCHEMBL4339531 0.86 CNR2 (0.87) CNR2CNR1TAS2R14DRD4DRD3
SCHEMBL4332165 0.85 CNR2 (0.55) CNR2CNR1PRMT5WDR77SYK
SCHEMBL4327319 0.81 CNR2 (0.54) CNR2CNR1
SCHEMBL4324651 0.81 CNR2 (0.63) CNR2CNR1GAADRD4DRD3
SCHEMBL4327706 0.81 CNR1 (0.62) CNR2CNR1GAADRD4DRD3
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 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 2/4885PRMT5 3205/4885

“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.