SCHEMBL4333065

SCHEMBL4333065

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TACR3 P29371 3/20 0.43
CD38 P28907 1/20 0.43
DYRK1A Q13627 1/20 0.42
CNR2 P34972 4/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 1/20 0.40
MAP3K14 Q99558 1/20 0.39
PDE2A O00408 2/20 0.39
MAST3 O60307 1/20 0.38
MAPK8 P45983 1/20 0.38
CNR1 P21554 1/20 0.37
GAA P10253 1/20 0.37
KLKB1 P03952 1/20 0.37
KLK1 P06870 1/20 0.37

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
SCHEMBL13578300 0.93 CD38 (0.45) HPGDL3MBTL1POLBMAPK1SMN1; SMN2
SCHEMBL13578305 0.92 KDM4E (0.49) HPGDL3MBTL1POLBMAPK1SMN1; SMN2
SCHEMBL13578307 0.92 CNR2 (0.42) HPGDL3MBTL1POLBMAPK1SMN1; SMN2
SCHEMBL13578301 0.92 DYRK1A (0.52) HPGDL3MBTL1POLBMAPK1SMN1; SMN2
SCHEMBL13578310 0.91 CSNK2A2 (0.42) HPGDL3MBTL1POLBMAPK1SMN1; SMN2
SCHEMBL13577999 0.91 CNR2 (0.42) HPGDL3MBTL1POLBMAPK1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL4331013 0.88 CNR2 (0.40) HPGDL3MBTL1POLBMAPK1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL4329692 0.88 CD38 (0.42) HPGDL3MBTL1POLBMAPK1SMN1; SMN2
SCHEMBL13578304 0.88 MAP3K14 (0.46) HPGDL3MBTL1POLBMAPK1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL4331242 0.88 L3MBTL1 (0.45) HPGDL3MBTL1POLBMAPK1SMN1; SMN2

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 HPGD 428/4885L3MBTL1 4825/4885POLB 4655/4885

“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.