SCHEMBL1412466

SCHEMBL1412466

O=C1CNC(=O)N1[C@H]1C[C@@H](n2cnc3c(N[C@H](CO)Cc4ccccc4)nc(Cl)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 6/20 0.61
ADORA2A P29274 6/20 0.54
ADORA3 P0DMS8 6/20 0.48

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
SCHEMBL1412141 0.86 ADORA1 (0.62) ADORA1ADORA2AADORA3
SCHEMBL1412142 0.86 ADORA1 (0.62) ADORA1ADORA2AADORA3
SCHEMBL1412145 0.86 ADORA1 (0.62) ADORA1ADORA2AADORA3
SCHEMBL1412158 0.86 ADORA2A (0.54) ADORA1ADORA2AADORA3
SCHEMBL1412320 0.85 ADORA1 (0.58) ADORA1ADORA2AADORA3
SCHEMBL1412223 0.84 ADORA1 (0.65) ADORA1ADORA2AADORA3
SCHEMBL1412256 0.84 ADORA2A (0.48) ADORA1ADORA2AADORA3
SCHEMBL1414926 0.84 ADORA2A (0.48) ADORA1ADORA2AADORA3
Hydrochloric Acid SCHEMBL4226536 0.84 ADORA1 (0.64) ADORA1ADORA2AADORA3
Hydrochloric Acid SCHEMBL4372574 0.84 ADORA1 (0.64) ADORA1ADORA2AADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8193164-B2 Organic compounds NOVARTIS AG (CH) 2012-06-05 US disclosed
EP-2018388-B9 BISADENOSINE COMPOUNDS AS ADENOSINE A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2011-10-05 EP disclosed
EP-2018388-B1 BISADENOSINE COMPOUNDS AS ADENOSINE A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2011-03-16 EP disclosed
US-20100190784-A1 Organic Compounds NOVARTIS AG 2010-07-29 US disclosed
EP-2018388-A2 BISADENOSINE COMPOUNDS AS ADENOSINE A2A RECEPTOR AGONISTS Novartis AG (CH) 2009-01-28 EP disclosed
WO-2007121924-A2 BISADENOSINE COMPOUNDS AS ADENOSINE A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2007-11-01 WO 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-20100190784-A1 Organic Compounds CYP1B1, POLR2A, CYP1A1 ADORA1 697/4885ADORA2A 1137/4885ADORA3 1044/4885

“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.