SCHEMBL591306

SCHEMBL591306

CCc1nnn([C@H]2C[C@@H](n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(N5CC[C@@H](NC(=O)NCc6ccc(C(=O)OC)cc6)C5)nc43)[C@H](O)[C@@H]2O)n1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 19/20 0.43
ADORA3 P0DMS8 6/20 0.40
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
CDK1 P06493 1/20 0.38
CDK5 Q00535 1/20 0.38

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
Hydrochloric Acid SCHEMBL591307 0.99 ADORA2A (0.42) ADORA2AADORA3ADORA2BADORA1CDK1
Hydrochloric Acid SCHEMBL591305 0.99 ADORA2A (0.42) ADORA2AADORA3ADORA2BADORA1CDK1
Hydrochloric Acid SCHEMBL590634 0.95 ADORA2A (0.47) ADORA2AADORA3ADORA2BADORA1CDK1
Hydrochloric Acid SCHEMBL3257413 0.95 ADORA2A (0.47) ADORA2AADORA3ADORA2BADORA1CDK1
Hydrochloric Acid SCHEMBL590633 0.95 ADORA2A (0.47) ADORA2AADORA3ADORA2BADORA1CDK1
Hydrochloric Acid SCHEMBL591908 0.93 ADORA2A (0.41) ADORA2AADORA3ADORA2BADORA1
SCHEMBL3158754 0.93 ADORA2A (0.45) ADORA2AADORA3ADORA2BADORA1CDK1
SCHEMBL3158732 0.93 ADORA2A (0.45) ADORA2AADORA3ADORA2BADORA1CDK1
Hydrochloric Acid SCHEMBL590912 0.93 ADORA2A (0.44) ADORA2AADORA3ADORA2BADORA1CDK1
Hydrochloric Acid SCHEMBL590913 0.93 ADORA2A (0.44) ADORA2AADORA3ADORA2BADORA1CDK1

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-8114877-B2 Antiinflammatory agnets; chronic obstructive pulmonary diseases NOVARTIS AG (CH) 2012-02-14 US disclosed
EP-2012759-B1 PURINE DERIVATIVES AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2010-03-10 EP disclosed
US-20090093633-A1 Organic Compounds NOVARTIS AG 2009-04-09 US disclosed
EP-1841768-B1 PURINE DERIVATIVES ACTING AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2008-11-12 EP disclosed
US-20080207648-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-28 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 (2 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-20090093633-A1 Organic Compounds ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA3 2/4885ADORA2B 4/4885
US-20080207648-A1 Organic Compounds ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885ADORA3 3/4885ADORA2B 4/4885

“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.