SCHEMBL4326239

SCHEMBL4326239

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

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.51
CNR1 P21554 6/20 0.51
CYP1A2 P05177 1/20 0.38
CASP1 P29466 1/20 0.38
KMT2A Q03164 1/20 0.37
DRD4 P21917 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR1A P08908 1/20 0.33
HTR2C P28335 1/20 0.33
HTR3A P46098 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
HTR4 Q13639 1/20 0.33
LMNA P02545 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
SCHEMBL4324697 0.94 CNR2 (0.54) CNR2CNR1KMT2ADRD4SIGMAR1
SCHEMBL4326244 0.93 CNR2 (0.60) CNR2CNR1CYP1A2CASP1KMT2A
SCHEMBL4320289 0.89 CNR1 (0.49) CNR2CNR1CYP1A2KMT2ADRD4
SCHEMBL4324702 0.87 CNR2 (0.64) CNR2CNR1CYP1A2KMT2ADRD4
SCHEMBL4325964 0.86 CNR2 (0.52) CNR2CNR1KMT2AHTR4
SCHEMBL4325256 0.85 CNR1 (0.56) CNR2CNR1LMNA
SCHEMBL4327319 0.84 CNR2 (0.54) CNR2CNR1HTR3EHTR3BHTR1A
SCHEMBL4334584 0.84 CNR2 (0.57) CNR2CNR1CYP1A2KMT2AHTR3E
SCHEMBL4334740 0.83 CNR1 (0.65) CNR2CNR1LMNA
SCHEMBL4321804 0.82 CNR1 (0.55) CNR2CNR1LMNA

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 2/4885CYP1A2 578/4885

“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.