SCHEMBL4325964

SCHEMBL4325964

Cc1ccnc(NC(=O)c2nc(CN3CCS(O)(O)CC3)c3ccccn23)n1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.52
CNR1 P21554 5/20 0.52
ALDH1A1 P00352 3/20 0.40
POLB P06746 1/20 0.40
CCNE1 P24864 3/20 0.37
CDK2 P24941 3/20 0.37
CDK4 P11802 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
CSF1R P07333 1/20 0.34
KDM4E B2RXH2 2/20 0.33
HTR4 Q13639 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
HPGD P15428 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
SCHEMBL13578117 0.93 CNR1 (0.61) CNR2CNR1ALDH1A1POLBCCNE1
SCHEMBL4334584 0.91 CNR2 (0.57) CNR2CNR1ALDH1A1KDM4EHTR4
SCHEMBL4324697 0.90 CNR2 (0.54) CNR2CNR1KDM4EHTR4KMT2A
SCHEMBL4331764 0.87 CNR2 (0.65) CNR2CNR1CCNE1CDK2CDK4
SCHEMBL4326239 0.86 CNR2 (0.51) CNR2CNR1HTR4KMT2A
SCHEMBL4334740 0.85 CNR1 (0.65) CNR2CNR1ALDH1A1POLBHPGD
SCHEMBL4331211 0.85 CNR1 (0.56) CNR2CNR1ALDH1A1POLBKMT2A
SCHEMBL4320289 0.84 CNR1 (0.49) CNR2CNR1KDM4EHTR4KMT2A
SCHEMBL4331300 0.84 CNR1 (0.52) CNR2CNR1POLBL3MBTL1KDM4E
SCHEMBL4327319 0.83 CNR2 (0.54) CNR2CNR1ALDH1A1HTR4

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 2/4885ALDH1A1 2838/4885

“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.