SCHEMBL2805359

SCHEMBL2805359

C[C@@H]1NC(=O)N([C@H]2C[C@@H](n3cnc4c(N[C@H](CO)Cc5ccccc5)nc(N5CC[C@@H](NC(=O)Nc6cccnc6)C5)nc43)[C@H](O)[C@@H]2O)C1=O

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.42
ADORA3 P0DMS8 2/20 0.40
ADORA1 P30542 3/20 0.37
EPHX2 P34913 1/20 0.34
CDK1 P06493 1/20 0.34
CDK5 Q00535 1/20 0.34
EGFR P00533 3/20 0.32

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
SCHEMBL2805371 1.00 ADORA2A (0.42) ADORA2AADORA3ADORA1EPHX2CDK1
SCHEMBL11968446 1.00 ADORA2A (0.42) ADORA2AADORA3ADORA1EPHX2CDK1
SCHEMBL2807466 0.93 ADORA2A (0.42) ADORA2AADORA3ADORA1EPHX2CDK1
SCHEMBL2807471 0.93 ADORA2A (0.42) ADORA2AADORA3ADORA1EPHX2CDK1
SCHEMBL2807480 0.93 ADORA2A (0.42) ADORA2AADORA3ADORA1EPHX2CDK1
SCHEMBL11968433 0.93 ADORA2A (0.42) ADORA2AADORA3ADORA1EPHX2CDK1
SCHEMBL2809321 0.90 ADORA2A (0.44) ADORA2AADORA3ADORA1EPHX2CDK1
SCHEMBL11968487 0.90 ADORA2A (0.44) ADORA2AADORA3ADORA1EPHX2CDK1
SCHEMBL2809337 0.90 ADORA2A (0.44) ADORA2AADORA3ADORA1EPHX2CDK1
SCHEMBL2808357 0.89 ADORA2A (0.43) ADORA2AADORA3ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044070-B1 PURINE DERIVATIVES AS A2A AGONISTS NOVARTIS AG (CH) 2012-08-22 EP claimed
US-8071565-B2 Purine derivatives as a2a agonists NOVARTIS AG (CH) 2011-12-06 US claimed
US-20120283255-A1 UREA DERIVATIVES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR GALAPAGOS SASU (FR) 2012-11-08 US disclosed
EP-2044070-B1 PURINE DERIVATIVES AS A2A AGONISTS NOVARTIS AG (CH) 2012-08-22 EP disclosed
US-8071565-B2 Purine derivatives as a2a agonists NOVARTIS AG (CH) 2011-12-06 US disclosed
US-8071565-B2 Purine derivatives as a2a agonists NOVARTIS AG (CH) 2011-12-06 US disclosed
US-8071565-B2 Purine derivatives as a2a agonists NOVARTIS AG (CH) 2011-12-06 US disclosed
US-20100240680-A1 Purine derivatives as a2a agonists NOVARTIS AG (CH) 2010-09-23 US disclosed
US-20100240680-A1 Purine derivatives as a2a agonists NOVARTIS AG (CH) 2010-09-23 US disclosed
US-20100240680-A1 Purine derivatives as a2a agonists NOVARTIS AG (CH) 2010-09-23 US disclosed
US-20100240889-A1 Urea Derivatives Methods For Their Manufacture And Uses Thereof PROSKELIA SAS (FR) 2010-09-23 US disclosed
EP-1889846-A1 Purine derivatives as A2a agonists Novartis AG (CH) 2008-02-20 EP 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 (3 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-20120283255-A1 UREA DERIVATIVES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR UTS2R, UGP2, SLC14A1 ADORA2A 1712/4885ADORA3 1037/4885ADORA1 271/4885
US-20100240680-A1 Purine derivatives as a2a agonists ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885ADORA3 3/4885ADORA1 2/4885
US-20100240889-A1 Urea Derivatives Methods For Their Manufacture And Uses Thereof UGP2, UTS2R, UMPS ADORA2A 1053/4885ADORA3 679/4885ADORA1 513/4885

“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.