SCHEMBL1489402

SCHEMBL1489402

O=C(CN1CCC(N2CCCCC2)CC1)Nc1cc(-c2ccccn2)nc(-c2cccs2)n1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.74
ADORA1 P30542 9/20 0.74
ADORA3 P0DMS8 3/20 0.47
PARP1 P09874 4/20 0.46
HPGD P15428 2/20 0.44
CYP2C9 P11712 1/20 0.44
HTT P42858 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL1489831 0.99 ADORA2A (0.75) ADORA2AADORA1ADORA3PARP1HPGD
SCHEMBL1489308 0.97 ADORA2A (0.75) ADORA2AADORA1ADORA3PARP1HPGD
SCHEMBL1489348 0.92 ADORA2A (0.72) ADORA2AADORA1ADORA3HPGDHTT
SCHEMBL1489319 0.90 ADORA2A (0.86) ADORA2AADORA1ADORA3HPGDHTT
SCHEMBL1489301 0.89 ADORA2A (0.80) ADORA2AADORA1ADORA3HPGDHTT
SCHEMBL1489757 0.88 ADORA2A (0.57) ADORA2AADORA1ADORA3PARP1HPGD
SCHEMBL1489713 0.87 ADORA2A (0.58) ADORA2AADORA1ADORA3PARP1HPGD
SCHEMBL1489718 0.87 ADORA2A (0.77) ADORA2AADORA1ADORA3HPGDHTT
SCHEMBL1489476 0.86 ADORA2A (0.71) ADORA2AADORA1ADORA3HPGDHTT
SCHEMBL1489331 0.86 ADORA2A (0.78) ADORA2AADORA1ADORA3HPGDHTT

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.