SCHEMBL13746121

SCHEMBL13746121

CCCCn1cc2c(nc(NC(=O)Nc3ccccc3)n3nc(-c4ccco4)nc23)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 20/20 1.00
ADORA2A P29274 19/20 1.00
ADORA2B P29275 18/20 1.00
ADORA1 P30542 18/20 1.00

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
SCHEMBL13746388 0.95 ADORA3 (1.00) ADORA3ADORA2AADORA2BADORA1
SCHEMBL2283833 0.91 ADORA3 (1.00) ADORA3ADORA2AADORA2BADORA1
SCHEMBL1389222 0.91 ADORA3 (1.00) ADORA3ADORA2AADORA2BADORA1
SCHEMBL12375770 0.88 ADORA3 (0.88) ADORA3ADORA2AADORA2BADORA1
SCHEMBL958405 0.86 ADORA3 (1.00) ADORA3ADORA2AADORA2BADORA1
SCHEMBL2288712 0.85 ADORA3 (1.00) ADORA3ADORA2AADORA2BADORA1
SCHEMBL1389184 0.85 ADORA3 (1.00) ADORA3ADORA2AADORA2BADORA1
SCHEMBL1389176 0.84 ADORA3 (1.00) ADORA3ADORA2AADORA2BADORA1
SCHEMBL1389191 0.84 ADORA3 (1.00) ADORA3ADORA2AADORA2BADORA1
SCHEMBL2284068 0.83 ADORA3 (1.00) ADORA3ADORA2AADORA2BADORA1

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-20090203719-A1 ENHANCING TREATMENT OF MDR CANCER WITH ADENOSINE A3 ANTAGONISTS BOREA PIER ANDREA 2009-08-13 US disclosed
US-20090203719-A1 ENHANCING TREATMENT OF MDR CANCER WITH ADENOSINE A3 ANTAGONISTS BOREA PIER ANDREA 2009-08-13 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-20090203719-A1 ENHANCING TREATMENT OF MDR CANCER WITH ADENOSINE A3 ANTAGONISTS ADORA3, ADORA2A, ABCB1 ADORA3 1/4885ADORA2A 2/4885ADORA2B 12/4885

“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.