SCHEMBL4331300

SCHEMBL4331300

Cc1cccnc1NC(=O)c1nc(CN2CCS(O)(O)CC2)c2ccccn12

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.52
CNR2 P34972 5/20 0.52
MAPT P10636 4/20 0.41
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL4331291 0.93 CNR1 (0.61) CNR1CNR2MAPTKDM4EPOLB
SCHEMBL4334559 0.87 CNR2 (0.62) CNR1CNR2MAPTKDM4EPOLB
SCHEMBL4326279 0.87 CNR1 (0.50) CNR1CNR2
SCHEMBL4334584 0.87 CNR2 (0.57) CNR1CNR2KDM4EKMT2ANPC1
SCHEMBL4333482 0.85 CNR2 (0.52) CNR1CNR2
SCHEMBL4327706 0.85 CNR1 (0.62) CNR1CNR2KMT2ANPC1RAB9A
SCHEMBL4325964 0.84 CNR2 (0.52) CNR1CNR2KDM4EPOLBKMT2A
SCHEMBL4333588 0.83 CNR1 (0.52) CNR1CNR2L3MBTL1
SCHEMBL4331211 0.83 CNR1 (0.56) CNR1CNR2MAPTPOLBKMT2A
SCHEMBL4324697 0.82 CNR2 (0.54) CNR1CNR2KDM4EKMT2ANPC1

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 CNR1 2/4885CNR2 1/4885MAPT 4674/4885

“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.