SCHEMBL4338481

SCHEMBL4338481

O=C(Nc1cccnc1)c1nc(CN2CCC(F)(F)CC2)c2ccccn12

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.64
CNR1 P21554 7/20 0.64
NAMPT P43490 2/20 0.42
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PDE4A P27815 4/20 0.40
PDE4B Q07343 4/20 0.40
PDE4C Q08493 4/20 0.40
PDE4D Q08499 4/20 0.40
FAAH O00519 2/20 0.40
CYP2D6 P10635 1/20 0.40
RPS6KA3 P51812 1/20 0.40
RPS6KA2 Q15349 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
SCHEMBL4341823 0.87 CNR1 (0.54) CNR2CNR1NAMPTUSP2LMNA
SCHEMBL4341825 0.87 CNR1 (0.63) CNR2CNR1NAMPTUSP2LMNA
SCHEMBL4340056 0.84 CNR2 (0.68) CNR2CNR1FAAH
SCHEMBL4330441 0.83 CNR2 (0.61) CNR2CNR1
SCHEMBL4324493 0.83 CNR2 (0.74) CNR2CNR1FAAHADORA2AADORA1
SCHEMBL4326414 0.82 CNR2 (0.68) CNR2CNR1NAMPTFAAH
SCHEMBL4321720 0.82 CNR2 (0.70) CNR2CNR1USP2
SCHEMBL4334559 0.81 CNR2 (0.62) CNR2CNR1SMN1; SMN2
SCHEMBL4341751 0.81 CNR2 (0.64) CNR2CNR1FAAH
SCHEMBL4468815 0.81 CNR2 (0.69) CNR2CNR1

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 2/4885NAMPT 1659/4885

“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.