SCHEMBL4959375

SCHEMBL4959375

C=CC(=O)Nc1cc(-c2nccs2)nc(-c2ccccn2)n1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 13/20 0.60
ADORA1 P30542 12/20 0.59
SLC2A1 P11166 2/20 0.46
EGFR P00533 2/20 0.42
BTK Q06187 1/20 0.40
ITK Q08881 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
SCHEMBL1489728 0.82 ADORA2A (0.68) ADORA2AADORA1
SCHEMBL5022477 0.80 ADORA2A (0.67) ADORA2AADORA1
SCHEMBL1489232 0.79 ADORA2A (0.65) ADORA2AADORA1
SCHEMBL1489346 0.77 ADORA2A (0.62) ADORA2AADORA1
SCHEMBL1489808 0.77 ADORA2A (0.61) ADORA2AADORA1
SCHEMBL1490020 0.77 ADORA2A (0.64) ADORA2AADORA1
SCHEMBL5022756 0.77 ADORA2A (0.71) ADORA2AADORA1
SCHEMBL1489744 0.77 ADORA2A (0.61) ADORA2AADORA1
SCHEMBL1489445 0.76 ADORA2A (0.62) ADORA2AADORA1
SCHEMBL1489422 0.76 ADORA2A (0.73) ADORA2AADORA1

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-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
EP-1888565-A2 2, 6-DI (HETERO) ARYL -4-AMIDO-PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 2008-02-20 EP disclosed
WO-2006110884-A2 2, 6-DI (HETERO) ARYL -4-AMIDO-PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 2006-10-19 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-20080275064-A1 Substituted Pyrimidines as Adenosine Receptor Antagonists ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA1 3/4885SLC2A1 786/4885

“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.