SCHEMBL4331265

SCHEMBL4331265

O=C(Nc1ccncn1)c1nc(Cc2ccncc2)n2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
ATR Q13535 1/20 0.41
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
NAMPT P43490 2/20 0.39
FAAH O00519 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL4321929 0.90 NAMPT (0.44) ALDH1A1NPC1RAB9ALMNAMAPT
SCHEMBL4322905 0.90 ATR (0.47) CHRNB2CHRNB4CHRNA3CHRNA4ATR
SCHEMBL13578317 0.83 CHRNB2 (0.48) CHRNB2CHRNB4CHRNA3CHRNA4ATR
SCHEMBL4326784 0.81 PDE4A (0.51) NPC1RAB9ALMNANAMPTPDE4A
SCHEMBL4332310 0.79 ATR (0.47) ATRALDH1A1NPC1RAB9AHTT
SCHEMBL4323530 0.79 NPC1 (0.55) ALDH1A1NPC1RAB9AMAPTKDM4E
SCHEMBL13578325 0.78 ALDH1A1 (0.50) CHRNB2CHRNB4CHRNA3CHRNA4ATR
Trifluoroacetic Acid SCHEMBL4319298 0.78 CHRNB2 (0.46) CHRNB2CHRNB4CHRNA3CHRNA4ATR
SCHEMBL13578315 0.77 CHRNB2 (0.45) CHRNB2CHRNB4CHRNA3CHRNA4ATR
SCHEMBL13578323 0.77 CNR2 (0.58) CHRNB2CHRNB4CHRNA3CHRNA4ATR

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 2 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

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 CHRNB2 199/4885CHRNB4 188/4885CHRNA3 102/4885

“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.