SCHEMBL1489464

SCHEMBL1489464

CC(=O)Nc1cc(-n2cccn2)nc(Cl)n1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 12/20 0.61
ADORA1 P30542 8/20 0.61
ADORA3 P0DMS8 1/20 0.41
ADORA2B P29275 1/20 0.41
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
TNIK Q9UKE5 1/20 0.38
BRD4 O60885 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
SCHEMBL1489574 0.84 ADORA2A (0.51) ADORA2AADORA1ADORA3ADORA2BBRD4
SCHEMBL1489923 0.82 ADORA2A (0.58) ADORA2AADORA1ADORA3ADORA2BPIK3CD
SCHEMBL27661582 0.79 ADORA2A (0.67) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL3090981 0.78 ADORA2A (0.49) ADORA2AADORA1ADORA3ADORA2BPIK3CD
SCHEMBL1489736 0.78 ADORA2A (0.79) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL5016105 0.76 ADORA2A (0.65) ADORA2AADORA1ADORA3ADORA2BPIK3CD
SCHEMBL5016110 0.76 ADORA2A (0.64) ADORA2AADORA1ADORA3ADORA2BPIK3CA
SCHEMBL1489750 0.76 ADORA3 (0.62) ADORA2AADORA1ADORA3ADORA2BPIK3CD
SCHEMBL1489752 0.76 ADORA3 (0.62) ADORA2AADORA1ADORA3ADORA2BPIK3CD
SCHEMBL5017677 0.76 ADORA2A (1.00) ADORA2AADORA1ADORA3ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888565-B1 2, 6-DI (HETERO) ARYL -4-AMIDO-PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS ALMIRALL SA (ES) 2011-03-23 EP disclosed
US-20080275064-A1 Substituted Pyrimidines as Adenosine Receptor Antagonists ALMIRALL, S.A. (ES) 2008-11-06 US disclosed
US-20080275064-A1 Substituted Pyrimidines as Adenosine Receptor Antagonists ALMIRALL, S.A. (ES) 2008-11-06 US disclosed
US-20080275064-A1 Substituted Pyrimidines as Adenosine Receptor Antagonists ALMIRALL, S.A. (ES) 2008-11-06 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-20080275064-A1 Substituted Pyrimidines as Adenosine Receptor Antagonists ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA1 3/4885ADORA3 2/4885

“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.