SCHEMBL1489435

SCHEMBL1489435

COc1cccc(N2CCN(CC(=O)Nc3cc(-c4nccs4)nc(-c4ccccn4)n3)CC2)c1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.64
ADORA1 P30542 8/20 0.59
USP2 O75604 2/20 0.55
MAPT P10636 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
LMNA P02545 1/20 0.55
TSHR P16473 1/20 0.55
HTT P42858 1/20 0.55
GFER P55789 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
DRD4 P21917 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPK1 P28482 1/20 0.49
POLB P06746 1/20 0.48

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
SCHEMBL1489751 0.93 ADORA2A (0.70) ADORA2AADORA1USP2LMNATSHR
SCHEMBL1489778 0.90 ADORA2A (0.60) ADORA2AADORA1MAPTSMN1; SMN2LMNA
SCHEMBL1489440 0.90 ADORA2A (0.56) ADORA2AADORA1MAPTSMN1; SMN2TSHR
SCHEMBL1489830 0.89 ADORA2A (0.58) ADORA2AADORA1USP2MAPTSMN1; SMN2
SCHEMBL1489472 0.88 ADORA2A (0.58) ADORA2AADORA1MAPTSMN1; SMN2LMNA
SCHEMBL1489600 0.87 ADORA2A (0.60) ADORA2AADORA1USP2MAPTSMN1; SMN2
SCHEMBL1489633 0.86 ADORA2A (0.75) ADORA2AADORA1USP2MAPTSMN1; SMN2
SCHEMBL1489422 0.86 ADORA2A (0.73) ADORA2AADORA1ALDH1A1
SCHEMBL1489841 0.84 ADORA2A (0.61) ADORA2AADORA1SMN1; SMN2ALDH1A1
SCHEMBL1489346 0.84 ADORA2A (0.62) 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 8 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
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 3/4885USP2 4358/4885

“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.