SCHEMBL1489712

SCHEMBL1489712

NC(=O)C1CCCN(CC(=O)Nc2cc(-c3nccs3)nc(-c3cccs3)n2)C1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 15/20 0.53
ADORA1 P30542 13/20 0.53
ADORA3 P0DMS8 3/20 0.46
HPGD P15428 1/20 0.43
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP3A4 P08684 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL1489812 0.90 ADORA2A (0.59) ADORA2AADORA1ADORA3HPGDMEN1
SCHEMBL1490001 0.89 ADORA2A (0.53) ADORA2AADORA1MEN1HTTKMT2A
SCHEMBL1489658 0.89 ADORA2A (0.57) ADORA2AADORA1ADORA3HPGDCYP3A4
SCHEMBL1489689 0.88 ADORA2A (0.51) ADORA2AADORA1ADORA3HPGDCYP3A4
SCHEMBL1489218 0.87 ADORA2A (0.65) ADORA2AADORA1ADORA3HPGDCYP3A4
SCHEMBL1489853 0.86 ADORA2A (0.53) ADORA2AADORA1ADORA3HPGDCYP3A4
SCHEMBL1489383 0.86 ADORA2A (0.64) ADORA2AADORA1ADORA3HPGDCYP3A4
SCHEMBL1489159 0.86 ADORA2A (0.64) ADORA2AADORA1ADORA3HPGDCYP3A4
SCHEMBL1489312 0.85 ADORA2A (0.73) ADORA2AADORA1
SCHEMBL1489326 0.83 ADORA2A (0.56) ADORA2AADORA1ADORA3HPGDCYP3A4

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 6 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 claimed
US-20080275064-A1 Substituted Pyrimidines as Adenosine Receptor Antagonists ALMIRALL, S.A. (ES) 2008-11-06 US claimed
EP-1888565-A2 2, 6-DI (HETERO) ARYL -4-AMIDO-PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 2008-02-20 EP claimed
WO-2006110884-A2 2, 6-DI (HETERO) ARYL -4-AMIDO-PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 2006-10-19 WO claimed
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

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.