SCHEMBL1002030

SCHEMBL1002030

CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(CC4CC4)C(=O)c4ccc(F)c(F)c4)nc3)nc21

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 18/20 0.45
ADORA2A P29274 10/20 0.45
ADORA1 P30542 2/20 0.45
ADORA3 P0DMS8 1/20 0.41

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
SCHEMBL1002670 0.93 ADORA2B (0.49) ADORA2BADORA2AADORA1ADORA3
SCHEMBL1243367 0.91 ADORA2B (0.46) ADORA2BADORA2AADORA1ADORA3
SCHEMBL1243464 0.90 ADORA2B (0.49) ADORA2BADORA2AADORA1ADORA3
SCHEMBL9885749 0.89 ADORA2B (0.45) ADORA2BADORA2AADORA1ADORA3
SCHEMBL16299181 0.88 ADORA2B (0.46) ADORA2BADORA2AADORA1ADORA3
SCHEMBL1242614 0.88 ADORA2B (0.46) ADORA2BADORA2AADORA1ADORA3
SCHEMBL1243808 0.86 ADORA2A (0.44) ADORA2BADORA2AADORA1ADORA3
SCHEMBL24786686 0.86 ADORA2B (0.41) ADORA2BADORA2AADORA1ADORA3
SCHEMBL30073420 0.86 ADORA2B (0.41) ADORA2BADORA2AADORA1ADORA3
SCHEMBL24787115 0.85 ADORA2B (0.51) ADORA2BADORA2AADORA1ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7875608-B2 selective antagonists of A2B adenosine receptors; 6-Chloro-N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-pyridin-2-yl]-N-(2-pyridin-2-yl-ethyl)-nicotinamide; for treating asthma, diarrhea, insulin resistance, and diabetic retinopathy ADENOSINE THERAPEUTICS, LLC 2011-01-25 US disclosed
US-7875608-B2 selective antagonists of A2B adenosine receptors; 6-Chloro-N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-pyridin-2-yl]-N-(2-pyridin-2-yl-ethyl)-nicotinamide; for treating asthma, diarrhea, insulin resistance, and diabetic retinopathy ADENOSINE THERAPEUTICS, LLC 2011-01-25 US disclosed
US-7875608-B2 selective antagonists of A2B adenosine receptors; 6-Chloro-N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-pyridin-2-yl]-N-(2-pyridin-2-yl-ethyl)-nicotinamide; for treating asthma, diarrhea, insulin resistance, and diabetic retinopathy ADENOSINE THERAPEUTICS, LLC 2011-01-25 US disclosed
US-20090163491-A1 SUBSTITUTED 8-[6-AMINO-3PYRIDYL]XANTHINES ADENOSINE THERAPEUTICS, LTD. 2009-06-25 US disclosed
US-20090163491-A1 SUBSTITUTED 8-[6-AMINO-3PYRIDYL]XANTHINES ADENOSINE THERAPEUTICS, LTD. 2009-06-25 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-20090163491-A1 SUBSTITUTED 8-[6-AMINO-3PYRIDYL]XANTHINES ADORA2B, ADORA2A, ADORA3 ADORA2B 1/4885ADORA2A 2/4885ADORA1 4/4885

“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.