SCHEMBL4334587

SCHEMBL4334587

O=C(Nc1ncccn1)c1nc(CN2CCS(=O)(=O)CC2)c2ccccn12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.67
CNR1 P21554 6/20 0.67
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
FAAH O00519 1/20 0.36
JAK1 P23458 2/20 0.36
JAK2 O60674 2/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.35
TGFBR1 P36897 1/20 0.35
TGFBR2 P37173 1/20 0.35
HTR3E A5X5Y0 2/20 0.35
HTR3B O95264 2/20 0.35
HTR3A P46098 2/20 0.35
HTR3D Q70Z44 2/20 0.35
HTR3C Q8WXA8 2/20 0.35
HTR1A P08908 1/20 0.35
HTR2C P28335 1/20 0.35
HTR4 Q13639 1/20 0.34

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
SCHEMBL4334584 0.92 CNR2 (0.57) CNR2CNR1CYP1A2CYP2C19KMT2A
SCHEMBL13578117 0.91 CNR1 (0.61) CNR2CNR1CYP1A2CYP2C19KMT2A
SCHEMBL13578119 0.90 CNR2 (0.63) CNR2CNR1CYP1A2CYP2C19KMT2A
SCHEMBL4327321 0.90 CNR1 (0.63) CNR2CNR1CYP1A2CYP2C19KMT2A
SCHEMBL4327707 0.90 CNR1 (0.73) CNR2CNR1CYP1A2CYP2C19KMT2A
SCHEMBL4331769 0.88 CNR2 (0.75) CNR2CNR1CYP1A2CYP2C19KMT2A
SCHEMBL4324702 0.87 CNR2 (0.64) CNR2CNR1CYP1A2CYP2C19KMT2A
SCHEMBL4331291 0.87 CNR1 (0.61) CNR2CNR1CYP1A2CYP2C19KMT2A
SCHEMBL4340056 0.86 CNR2 (0.68) CNR2CNR1FAAHJAK1JAK2
SCHEMBL13578118 0.85 CNR1 (0.62) CNR2CNR1CYP1A2KMT2AJAK1

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 CNR2 1/4885CNR1 2/4885CYP1A2 578/4885

“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.