SCHEMBL1780939

SCHEMBL1780939

CC(C)Cn1c(=O)c2nc(-c3cc(OCC(=O)Nc4ccc(Br)cc4)n(C)n3)[nH]c2n(CC(C)C)c1=O

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 18/20 0.78
▸ ADORA1 P30542 14/20 0.78
▸ ADORA2A P29274 8/20 0.48
▸ ADORA3 P0DMS8 4/20 0.45

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
SCHEMBL1781908 0.92 ADORA2B (0.78) ADORA2BADORA1ADORA2AADORA3
SCHEMBL1782219 0.89 ADORA2B (0.78) ADORA2BADORA1ADORA2AADORA3
SCHEMBL14267748 0.87 ADORA2B (1.00) ADORA2BADORA1ADORA2AADORA3
SCHEMBL1780993 0.87 ADORA2B (0.78) ADORA2BADORA1ADORA2A
SCHEMBL1781522 0.81 ADORA2B (0.78) ADORA2BADORA1ADORA2AADORA3
SCHEMBL14267708 0.79 ADORA2B (1.00) ADORA2BADORA1ADORA2AADORA3
SCHEMBL1778535 0.79 ADORA2B (0.78) ADORA2BADORA1ADORA2A
SCHEMBL14267703 0.78 ADORA2B (1.00) ADORA2BADORA1ADORA2AADORA3
SCHEMBL5823537 0.76 ADORA2B (0.56) ADORA2BADORA1ADORA2AADORA3
SCHEMBL1781668 0.75 ADORA2B (0.78) ADORA2BADORA1ADORA2AADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118276-A1 METHODS OF TREATING ATHEROSCLEROSIS KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT INC 2011-05-19 — — US claimed
US-7335655-B2 8-heteroaryl xanthine adenosine A2B receptor antagonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2008-02-26 — — US claimed
US-7205403-B2 8-Heteroaryl xanthine adenosine A2B receptor antagonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2007-04-17 — — US claimed
US-20060142309-A1 8-Heteroaryl xanthine adenosine A2B receptor antagonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2006-06-29 — — US claimed
US-20030207879-A1 8-Heteroaryl xanthine adenosine A2B receptor antagonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2003-11-06 — — US claimed
US-20110118276-A1 METHODS OF TREATING ATHEROSCLEROSIS KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT INC 2011-05-19 — — US disclosed
US-7335655-B2 8-heteroaryl xanthine adenosine A2B receptor antagonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2008-02-26 — — US disclosed
US-7205403-B2 8-Heteroaryl xanthine adenosine A2B receptor antagonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2007-04-17 — — US disclosed
US-20060142309-A1 8-Heteroaryl xanthine adenosine A2B receptor antagonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2006-06-29 — — 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 (3 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-20110118276-A1 METHODS OF TREATING ATHEROSCLEROSIS ADORA2B, ADORA2A, ADORA3 ADORA2B 1/4885ADORA1 4/4885ADORA2A 2/4885
US-20030207879-A1 8-Heteroaryl xanthine adenosine A2B receptor antagonists ADORA2B, ADORA2A, ADORA1 ADORA2B 1/4885ADORA1 3/4885ADORA2A 2/4885
US-20060142309-A1 8-Heteroaryl xanthine adenosine A2B receptor antagonists ADORA2B, ADORA2A, ADORA1 ADORA2B 1/4885ADORA1 3/4885ADORA2A 2/4885

“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.

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