SCHEMBL3096918

SCHEMBL3096918

CN1CCN(CC(=O)Nc2cc(Cl)nc(-n3cccn3)n2)CC1

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 13/20 0.79
ADORA1 P30542 11/20 0.79
ADORA3 P0DMS8 1/20 0.58
ADORA2B P29275 1/20 0.58
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP2C19 P33261 1/20 0.44
POLB P06746 1/20 0.44
GSK3B P49841 2/20 0.43
DYRK1A Q13627 2/20 0.43
WNT1 P04628 1/20 0.43
ALOX15 P16050 1/20 0.42

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
SCHEMBL1489955 0.88 ADORA2A (1.00) ADORA2AADORA1ADORA3ADORA2BKDM4E
SCHEMBL1489736 0.83 ADORA2A (0.79) ADORA2AADORA1ADORA3ADORA2BKDM4E
SCHEMBL3085343 0.81 ADORA2A (0.51) ADORA2AADORA1ADORA3ADORA2BKDM4E
SCHEMBL3093468 0.79 ADORA2A (0.50) ADORA2AADORA1ADORA3ADORA2BKDM4E
SCHEMBL3090981 0.78 ADORA2A (0.49) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL3085450 0.77 ADORA2A (0.68) ADORA2AADORA1KDM4EALDH1A1
SCHEMBL1489821 0.74 ADORA2A (0.71) ADORA2AADORA1ADORA3ADORA2BKDM4E
SCHEMBL1489790 0.74 ADORA2A (1.00) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL1489482 0.74 ADORA2A (1.00) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL1489788 0.73 ADORA2A (0.75) ADORA2AADORA1ADORA3ADORA2BKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234341-A1 SUBSTITUTED PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS ALMIRALL, S.A. (ES) 2010-09-16 US disclosed
US-20100234341-A1 SUBSTITUTED PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS ALMIRALL, S.A. (ES) 2010-09-16 US disclosed
US-20100234341-A1 SUBSTITUTED PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS ALMIRALL, S.A. (ES) 2010-09-16 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-20100234341-A1 SUBSTITUTED PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS ADORA3, ADORA1, ADORA2A ADORA2A 3/4885ADORA1 2/4885ADORA3 1/4885

“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.