SCHEMBL4326575

SCHEMBL4326575

O=C(NC1(c2ccccc2)CC1)c1nc(-c2ccccn2)n2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD38 P28907 1/20 0.41
OPRD1 P41143 1/20 0.40
KCNH2 Q12809 1/20 0.40
BRD4 O60885 1/20 0.40
BRD2 P25440 1/20 0.40
BRD3 Q15059 1/20 0.40
BAZ2B Q9UIF8 1/20 0.40
BAZ2A Q9UIF9 1/20 0.40
MAPK8 P45983 3/20 0.39
MAST3 O60307 1/20 0.39
SSTR4 P31391 1/20 0.37
CTSD P07339 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TACR3 P29371 1/20 0.37
DYRK1A Q13627 1/20 0.37
CNR2 P34972 2/20 0.36
AKT1 P31749 1/20 0.36
PTGS2 P35354 1/20 0.36
CNR1 P21554 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL4333065 0.87 HPGD (0.46) CD38MAPK8MAST3L3MBTL1TACR3
SCHEMBL13578300 0.85 CD38 (0.45) CD38OPRD1KCNH2MAPK8MAST3
SCHEMBL13578314 0.83 CD38 (0.39) CD38OPRD1KCNH2MAPK8MAST3
SCHEMBL13578307 0.82 CNR2 (0.42) CD38MAPK8MAST3L3MBTL1TACR3
SCHEMBL13578305 0.82 KDM4E (0.49) CD38L3MBTL1TACR3DYRK1ACNR2
SCHEMBL13578301 0.81 DYRK1A (0.52) CD38MAPK8MAST3L3MBTL1TACR3
SCHEMBL13578303 0.81 GUCY1B2 (0.41) CD38MAPK8MAST3L3MBTL1TACR3
Trifluoroacetic Acid SCHEMBL4329692 0.81 CD38 (0.42) CD38MAPK8MAST3L3MBTL1TACR3
SCHEMBL4326579 0.80 CNR2 (0.48) CNR2CNR1KDM4EALDH1A1HSD17B10
SCHEMBL4330417 0.80 CNR1 (0.41) CD38OPRD1KCNH2MAPK8MAST3

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 3 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

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 CD38 785/4885OPRD1 38/4885KCNH2 336/4885

“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.