SCHEMBL4331203

SCHEMBL4331203

Cc1ccnc(NC(=O)c2nc(CN3CCS(=O)(=O)CC3)c3ccccn23)c1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.65
CNR2 P34972 4/20 0.65
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
NPC1 O15118 10/20 0.41
RAB9A P51151 9/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
MAPT P10636 1/20 0.40
RIPK1 Q13546 1/20 0.39
PKM P14618 2/20 0.39
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPK1 P28482 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL4331211 0.93 CNR1 (0.56) CNR1CNR2KMT2AMEN1NPC1
SCHEMBL4325260 0.88 CNR1 (0.66) CNR1CNR2MAPT
SCHEMBL4327707 0.88 CNR1 (0.73) CNR1CNR2KMT2AMEN1NPC1
SCHEMBL4332318 0.88 CNR2 (0.66) CNR1CNR2KMT2AMEN1NPC1
SCHEMBL4333044 0.86 CNR1 (0.66) CNR1CNR2KMT2AMEN1NPC1
SCHEMBL13578117 0.85 CNR1 (0.61) CNR1CNR2KMT2ANPC1RAB9A
SCHEMBL4334731 0.84 CNR1 (0.76) CNR1CNR2NPC1RAB9APOLB
SCHEMBL13578119 0.84 CNR2 (0.63) CNR1CNR2KMT2AMEN1NPC1
SCHEMBL4334587 0.84 CNR2 (0.67) CNR1CNR2KMT2A
SCHEMBL4324702 0.83 CNR2 (0.64) CNR1CNR2KMT2ANPC1RAB9A

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 CNR1 2/4885CNR2 1/4885KMT2A 1982/4885

“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.