SCHEMBL301072

SCHEMBL301072

COC(=O)N[C@H]1C[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(N4CCC(NC(=O)Nc5cccnc5)C4)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 17/20 0.48
ADORA3 P0DMS8 7/20 0.48
ADORA1 P30542 2/20 0.39
EPHX2 P34913 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
SCHEMBL2757528 1.00 ADORA2A (0.48) ADORA2AADORA3ADORA1EPHX2
SCHEMBL242383 1.00 ADORA2A (0.48) ADORA2AADORA3ADORA1EPHX2
SCHEMBL13886182 1.00 ADORA2A (0.48) ADORA2AADORA3ADORA1EPHX2
SCHEMBL299755 1.00 ADORA2A (0.48) ADORA2AADORA3ADORA1EPHX2
SCHEMBL4213653 1.00 ADORA2A (0.48) ADORA2AADORA3ADORA1EPHX2
Hydrochloric Acid SCHEMBL242382 0.99 ADORA2A (0.48) ADORA2AADORA3ADORA1EPHX2
Hydrochloric Acid SCHEMBL242384 0.99 ADORA2A (0.48) ADORA2AADORA3ADORA1EPHX2
SCHEMBL1831645 0.95 ADORA2A (0.45) ADORA2AADORA3ADORA1
Hydrochloric Acid SCHEMBL4488897 0.94 ADORA2A (0.48) ADORA2AADORA3ADORA1EPHX2
Hydrochloric Acid SCHEMBL4488903 0.94 ADORA2A (0.48) ADORA2AADORA3ADORA1EPHX2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2013211-B1 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2012-03-14 EP claimed
US-20090181934-A1 Organic Compounds NOVARTIS AG 2009-07-16 US claimed
US-20090181934-A1 Organic Compounds NOVARTIS AG 2009-07-16 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-20090181934-A1 Organic Compounds LTB4R2, LTA4H, LTB4R ADORA2A 28/4885ADORA3 43/4885ADORA1 64/4885

“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.