SCHEMBL4333097

SCHEMBL4333097

O=C(NCc1ncccc1F)c1nc(-c2ccc(F)cc2)n2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.45
ADORA1 P30542 7/20 0.45
CNR2 P34972 1/20 0.45
SLC40A1 Q9NP59 5/20 0.42
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL13578092 0.87 SMN1; SMN2 (0.43) ADORA2ACNR2SMN1; SMN2
SCHEMBL13578095 0.85 TP53 (0.47) CNR2SMN1; SMN2
SCHEMBL13578097 0.84 ALDH1A1 (0.55) CNR2SMN1; SMN2
Trifluoroacetic Acid SCHEMBL4341463 0.83 SMN1; SMN2 (0.40) CNR2SMN1; SMN2
SCHEMBL13578102 0.83 ALDH1A1 (0.51) CNR2SMN1; SMN2
Trifluoroacetic Acid SCHEMBL4327011 0.81 TP53 (0.44) ADORA2AADORA1CNR2
Trifluoroacetic Acid SCHEMBL4321817 0.79 KDM4E (0.47) CNR2SMN1; SMN2
SCHEMBL13578100 0.79 TP53 (0.51) CNR2SMN1; SMN2
SCHEMBL13578096 0.79 KMT2A (0.51) ADORA2ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL4326435 0.79 ALDH1A1 (0.50) CNR2SMN1; SMN2

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 ADORA2A 127/4885ADORA1 164/4885CNR2 1/4885

“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.