SCHEMBL4331769

SCHEMBL4331769

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

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.75
CNR1 P21554 6/20 0.75
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
KMT2A Q03164 2/20 0.36
SYK P43405 2/20 0.36
TAS2R14 Q9NYV8 1/20 0.36
TGFBR1 P36897 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
IDH2 P48735 1/20 0.34
GAA P10253 1/20 0.34
CHRM4 P08173 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
SCHEMBL4331764 0.93 CNR2 (0.65) CNR2CNR1PRMT5WDR77SYK
SCHEMBL4323374 0.89 CNR2 (0.75) CNR2CNR1PRMT5WDR77SYK
SCHEMBL4334587 0.88 CNR2 (0.67) CNR2CNR1KMT2ATGFBR1CYP1A2
SCHEMBL13578117 0.87 CNR1 (0.61) CNR2CNR1KMT2ACYP1A2CYP2C19
SCHEMBL4339536 0.86 CNR2 (1.00) CNR2CNR1KMT2ATGFBR1
SCHEMBL4332165 0.85 CNR2 (0.55) CNR2CNR1PRMT5WDR77SYK
SCHEMBL4327321 0.81 CNR1 (0.63) CNR2CNR1KMT2ACYP1A2CYP2C19
SCHEMBL13578119 0.81 CNR2 (0.63) CNR2CNR1KMT2ATGFBR1CYP1A2
SCHEMBL4324652 0.81 CNR2 (0.73) CNR2CNR1GAA
SCHEMBL4327707 0.81 CNR1 (0.73) CNR2CNR1KMT2ACYP1A2CYP2C19

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 4 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
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
WO-2008085302-A1 IMIDAZOPYRIDINE ANALOGS AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES MERCK & CO., INC. (US) 2008-07-17 WO 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.