SCHEMBL4332310

SCHEMBL4332310

O=C(Nc1ccccn1)c1nc(Cc2cccnc2)n2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.47
TSHR P16473 1/20 0.42
GRM5 P41594 9/20 0.42
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CYP1A2 P05177 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39

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
SCHEMBL4322905 0.90 ATR (0.47) ATRHTTKDM4EALDH1A1HSD17B10
SCHEMBL4321929 0.89 NAMPT (0.44) GRM5HTTKDM4EALDH1A1NPC1
SCHEMBL4335813 0.86 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL4329117 0.85 ROCK2 (0.44) ATRHTTKDM4EALDH1A1HSD17B10
SCHEMBL4324559 0.84 HTT (0.52) TSHRHTTKDM4EALDH1A1RAB9A
SCHEMBL4326314 0.84 HTT (0.47) TSHRHTTKDM4EALDH1A1HSD17B10
SCHEMBL4322895 0.84 KDM4E (0.47) TSHRHTTKDM4EALDH1A1HSD17B10
SCHEMBL4334597 0.83 PABPC1 (0.48) TSHRHTTALDH1A1HSD17B10PDE4A
SCHEMBL4326402 0.81 NPC1 (0.51) GRM5KDM4EALDH1A1PDE4APDE4B
SCHEMBL4327554 0.80 ATR (0.57) ATRTSHRGRM5NPC1RAB9A

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 3829/4885TSHR 638/4885GRM5 331/4885

“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.