SCHEMBL4335813

SCHEMBL4335813

O=C(Nc1cccnc1)c1nc(Cc2cccnc2)n2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 10/20 0.52
PDE4B Q07343 10/20 0.52
PDE4C Q08493 10/20 0.52
PDE4D Q08499 10/20 0.52
PKM P14618 1/20 0.46
NAMPT P43490 1/20 0.45
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
PRKCI P41743 1/20 0.44
SGMS2 Q8NHU3 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL4326784 0.93 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPKM
SCHEMBL4329117 0.93 ROCK2 (0.44) PDE4APDE4BPDE4CPDE4DPKM
SCHEMBL4326402 0.89 NPC1 (0.51) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL4332310 0.86 ATR (0.47) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL4334597 0.85 PABPC1 (0.48) PDE4APDE4BPDE4CPDE4DNAMPT
SCHEMBL4320261 0.85 ATR (0.51) PDE4APDE4BPDE4CPDE4DPRKCI
SCHEMBL4332695 0.85 RAB9A (0.46) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL4322905 0.85 ATR (0.47) PDE4APDE4BPDE4CPDE4DNAMPT
SCHEMBL4324559 0.83 HTT (0.52) POLBSMN1; SMN2RAB9A
SCHEMBL4335030 0.83 CNR2 (0.59) PDE4APDE4BPDE4CPDE4DPKM

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 PDE4A 522/4885PDE4B 534/4885PDE4C 728/4885

“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.