SCHEMBL8979404

SCHEMBL8979404

CCCn1c(=O)[nH]c(N)c(NC(=O)c2cnn(Cc3cccc(C)c3)c2)c1=O

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 8/20 0.49
ADORA1 P30542 7/20 0.49
ADORA2A P29274 6/20 0.49
ADORA3 P0DMS8 5/20 0.45
KLKB1 P03952 10/20 0.43
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL1546641 0.91 ADORA2B (0.56) ADORA2BADORA1ADORA2AADORA3KLKB1
SCHEMBL1723697 0.90 ADORA2B (0.52) ADORA2BADORA1ADORA2AADORA3KLKB1
SCHEMBL796431 0.88 ADORA2B (0.58) ADORA2BADORA1ADORA2AADORA3
SCHEMBL1546781 0.88 KLKB1 (0.52) ADORA2BADORA1ADORA2AADORA3KLKB1
SCHEMBL8979367 0.85 ADORA2A (0.51) ADORA2BADORA1ADORA2AADORA3KLKB1
SCHEMBL5541331 0.84 ADORA2B (0.45) ADORA2BADORA1ADORA2AADORA3KLKB1
SCHEMBL8979421 0.82 KLKB1 (0.43) ADORA2BADORA1ADORA2AADORA3KLKB1
SCHEMBL1546784 0.82 ADORA2B (0.41) ADORA2BADORA1ADORA2AADORA3KLKB1
SCHEMBL5584758 0.80 ROCK1 (0.39) ADORA2BADORA2AADORA3KMT2AALDH1A1
SCHEMBL1546131 0.80 ADORA2B (0.57) ADORA2BADORA1ADORA2AADORA3KLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243358-A1 METHOD OF PREVENTING AND TREATING HEPATIC DISEASE USING A2B ADENOSINE RECEPTOR ANTAGONISTS GILEAD SCIENCES, INC. (US) 2014-08-28 US disclosed
US-20120220608-A1 METHOD OF PREVENTING AND TREATING HEPATIC DISEASE USING A2B ADENOSINE RECEPTOR ANTAGONISTS GILEAD SCIENCES, INC. 2012-08-30 US disclosed
US-8188099-B2 Method of decreasing hepatotoxic side effects using A2B adenosine receptor antagonists GILEAD SCIENCES, INC. (US) 2012-05-29 US disclosed
US-20110184002-A1 METHOD OF TREATING HEPATIC DISEASE USING A2B ADENOSINE RECEPTOR ANTAGONISTS GILEAD SCIENCES, INC. (US) 2011-07-28 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-20140243358-A1 METHOD OF PREVENTING AND TREATING HEPATIC DISEASE USING A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 ADORA2B 1/4885ADORA1 3/4885ADORA2A 2/4885
US-20120220608-A1 METHOD OF PREVENTING AND TREATING HEPATIC DISEASE USING A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 ADORA2B 1/4885ADORA1 3/4885ADORA2A 2/4885
US-20110184002-A1 METHOD OF TREATING HEPATIC DISEASE USING A2B ADENOSINE 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.