SCHEMBL5016140

SCHEMBL5016140

CCC(=O)Nc1cc(Cl)nc(-c2ccco2)n1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 15/20 0.77
ADORA3 P0DMS8 14/20 0.77
ADORA2A P29274 14/20 0.77
ADORA2B P29275 7/20 0.77

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
SCHEMBL3090144 0.86 ADORA2A (0.76) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL5022651 0.80 ADORA1 (0.69) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL6038184 0.79 ADORA3 (0.75) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL5016122 0.79 ADORA1 (0.68) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL5024967 0.79 ADORA3 (0.75) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL13920230 0.79 ADORA3 (0.75) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL5017648 0.78 ADORA2A (0.65) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL5017646 0.78 ADORA2A (0.80) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL5017710 0.78 ADORA2A (0.73) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL5017739 0.77 ADORA2A (0.64) ADORA1ADORA3ADORA2AADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080058356-A1 2,6 Bisheteroaryl-4-Aminopyrimidines as Adenosine Receptor Antagonists NEUROCRINE BIOSCIENCES, INC. (US) 2008-03-06 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-20080058356-A1 2,6 Bisheteroaryl-4-Aminopyrimidines as Adenosine Receptor Antagonists ADORA2A, ADORA3, ADORA1 ADORA1 3/4885ADORA3 2/4885ADORA2A 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.