SCHEMBL448404

SCHEMBL448404

Nc1nc(Cc2cccc(I)c2)nc2c1ncn2CO

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.41
PPARD Q03181 7/20 0.41
ADORA2A P29274 3/20 0.40
ADORA1 P30542 3/20 0.40
ADORA3 P0DMS8 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
AKT1 P31749 1/20 0.38
TMIGD3 P0DMS9 2/20 0.38
ADORA2B P29275 1/20 0.37

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
SCHEMBL465001 0.91 ADORA2A (0.45) PPARGPPARDADORA2AADORA1ADORA3
SCHEMBL447288 0.87 ADORA2A (0.49) PPARGPPARDADORA2AADORA1ADORA3
SCHEMBL448173 0.87 ADORA2A (0.40) PPARGPPARDADORA2AADORA1ADORA3
SCHEMBL450536 0.83 CDK1 (0.45) ADORA2AADORA1ADORA3AKT1
SCHEMBL449667 0.82 ADORA2A (0.38) PPARGPPARDADORA2AADORA1PDE4A
SCHEMBL465000 0.81 CDK1 (0.40) AKT1
SCHEMBL7743666 0.76 ADORA3 (0.69) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL7744345 0.74 PDE8A (0.57) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL448638 0.71 CDC7 (0.37) ADORA2AADORA1ADORA3PDE4APDE4B
SCHEMBL14813260 0.70 HPGD (0.48) ADORA2AADORA1ADORA3PDE4APDE4B

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-8557790-B2 A3 adenoside receptor agonists for the reduction of intraocular pressure CAN-FITE BIOPHARMA LTD. (IL) 2013-10-15 US disclosed
US-20120065155-A1 A3 ADENOSIDE RECEPTOR AGONISTS FOR THE REDUCTION OF INTRAOCULAR PRESSURE CAN-FITE BIOPHARMA LTD. (IL) 2012-03-15 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-20120065155-A1 A3 ADENOSIDE RECEPTOR AGONISTS FOR THE REDUCTION OF INTRAOCULAR PRESSURE ADORA3, ADORA1, ADORA2A PPARG 2110/4885PPARD 2856/4885ADORA2A 3/4885

“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.