SCHEMBL1004612

SCHEMBL1004612

CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(CCCN4CCOCC4)C(=O)c4ccccc4)nc3)nc21

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 9/20 0.44
ADORA3 P0DMS8 8/20 0.44
ADORA2B P29275 16/20 0.44
ADORA2A P29274 13/20 0.43
CHRM4 P08173 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 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
SCHEMBL1241054 0.90 ADORA2B (0.43) ADORA1ADORA3ADORA2BADORA2ACHRM4
SCHEMBL12927267 0.89 ADORA2B (0.41) ADORA1ADORA3ADORA2BADORA2ACHRM4
SCHEMBL17364390 0.87 ADORA2B (0.43) ADORA1ADORA3ADORA2BADORA2ACHRM4
SCHEMBL1241033 0.87 ADORA2B (0.43) ADORA1ADORA3ADORA2BADORA2ACHRM4
SCHEMBL1243803 0.87 ADORA2B (0.49) ADORA1ADORA3ADORA2BADORA2ACHRM4
SCHEMBL13757402 0.86 ADORA2B (0.41) ADORA1ADORA3ADORA2BADORA2ACHRM4
SCHEMBL1243464 0.86 ADORA2B (0.49) ADORA1ADORA3ADORA2BADORA2ACHRM4
SCHEMBL1243311 0.85 ADORA2B (0.42) ADORA1ADORA3ADORA2BADORA2ACHRM4
SCHEMBL12085845 0.85 ADORA2B (0.48) ADORA1ADORA3ADORA2BADORA2ACHRM4
SCHEMBL24787113 0.84 ADORA2B (0.44) ADORA1ADORA3ADORA2BADORA2ACHRM4

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
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
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 ADORA1 4/4885ADORA3 3/4885ADORA2B 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.