SCHEMBL4320261

SCHEMBL4320261

O=C(Nc1ccc2[nH]ccc2c1)c1nc(Cc2cccnc2)n2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATR Q13535 2/20 0.51
PRKCI P41743 1/20 0.46
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
MAPT P10636 3/20 0.46
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
CFTR P13569 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
NOTUM Q6P988 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38

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
SCHEMBL4332695 0.86 RAB9A (0.46) NPC1RAB9AMAPTPDE4APDE4B
SCHEMBL4335813 0.85 PDE4A (0.52) PRKCINPC1RAB9APDE4APDE4B
SCHEMBL4334597 0.85 PABPC1 (0.48) NPC1RAB9AMAPTPDE4APDE4B
SCHEMBL4329117 0.84 ROCK2 (0.44) ATRNPC1RAB9AMAPTPDE4A
SCHEMBL4326402 0.83 NPC1 (0.51) NPC1MAPTPDE4APDE4BPDE4C
SCHEMBL13578008 0.78 ATR (0.38) ATRRAB9AMAPTPDE4APDE4B
SCHEMBL4332310 0.78 ATR (0.47) ATRNPC1RAB9APDE4APDE4B
SCHEMBL4329012 0.78 IRAK4 (0.48) NPC1RAB9AMAPTMEN1ALDH1A1
SCHEMBL4326784 0.78 PDE4A (0.51) PRKCINPC1RAB9APDE4APDE4B
SCHEMBL4324559 0.77 HTT (0.52) RAB9AMAPTMEN1ALDH1A1KMT2A

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 ATR 3829/4885PRKCI 893/4885NPC1 1236/4885

“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.