SCHEMBL291920

SCHEMBL291920

CCC(=O)N[C@H]1C[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(N4CC[C@@H](NC(=O)N[C@@H]5CCNC5)C4)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 0.56
ADORA3 P0DMS8 8/20 0.56
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40

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
SCHEMBL291922 1.00 ADORA2A (0.56) ADORA2AADORA3ADORA2BADORA1
SCHEMBL291921 1.00 ADORA2A (0.56) ADORA2AADORA3ADORA2BADORA1
Trifluoroacetic Acid SCHEMBL241434 0.96 ADORA2A (0.53) ADORA2AADORA3ADORA2BADORA1
SCHEMBL242476 0.94 ADORA2A (0.49) ADORA2AADORA3ADORA1
SCHEMBL242478 0.94 ADORA2A (0.49) ADORA2AADORA3ADORA1
SCHEMBL242477 0.94 ADORA2A (0.49) ADORA2AADORA3ADORA1
SCHEMBL10156281 0.94 ADORA2A (0.61) ADORA2AADORA3ADORA2BADORA1
SCHEMBL10195035 0.94 ADORA2A (0.61) ADORA2AADORA3ADORA2BADORA1
SCHEMBL10155736 0.94 ADORA2A (0.61) ADORA2AADORA3ADORA2BADORA1
Trifluoroacetic Acid SCHEMBL4129316 0.94 ADORA2A (0.51) ADORA2AADORA3ADORA2BADORA1

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 5 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-2013211-B1 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2012-03-14 EP 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

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 ADORA2A 1137/4885ADORA3 1044/4885ADORA2B 123/4885

“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.