SCHEMBL8979367

SCHEMBL8979367

CCCn1c(=O)c(NC(=O)c2cnn(Cc3cccc(C)c3)c2)c(N)n(CC)c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.51
ADORA2B P29275 8/20 0.51
ADORA1 P30542 8/20 0.51
ADORA3 P0DMS8 5/20 0.43
KLKB1 P03952 10/20 0.42
PLK4 O00444 1/20 0.41
CDK2 P24941 1/20 0.41
IRAK1 P51617 1/20 0.41
RPS6KA3 P51812 1/20 0.41
PLK3 Q9H4B4 1/20 0.41
CSNK1G3 Q9Y6M4 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL244147 0.89 ADORA2B (0.55) ADORA2AADORA2BADORA1ADORA3PLK4
SCHEMBL8979404 0.85 ADORA2B (0.49) ADORA2AADORA2BADORA1ADORA3KLKB1
SCHEMBL8979421 0.83 KLKB1 (0.43) ADORA2AADORA2BADORA1ADORA3KLKB1
SCHEMBL1546107 0.81 ADORA2B (0.54) ADORA2AADORA2BADORA1ADORA3PLK4
SCHEMBL1546032 0.81 ADORA2B (0.54) ADORA2AADORA2BADORA1ADORA3KLKB1
SCHEMBL1546750 0.80 ADORA2B (0.52) ADORA2AADORA2BADORA1ADORA3KLKB1
SCHEMBL1546706 0.80 ADORA2B (0.49) ADORA2AADORA2BADORA1ADORA3KLKB1
SCHEMBL1546710 0.78 ADORA2B (0.57) ADORA2AADORA2BADORA1ADORA3PLK4
SCHEMBL1546641 0.76 ADORA2B (0.56) ADORA2AADORA2BADORA1ADORA3KLKB1
SCHEMBL1723697 0.75 ADORA2B (0.52) ADORA2AADORA2BADORA1ADORA3KLKB1

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 ADORA2A 2/4885ADORA2B 1/4885ADORA1 3/4885
US-20120220608-A1 METHOD OF PREVENTING AND TREATING HEPATIC DISEASE USING A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 ADORA2A 2/4885ADORA2B 1/4885ADORA1 3/4885
US-20110184002-A1 METHOD OF TREATING HEPATIC DISEASE USING A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 ADORA2A 2/4885ADORA2B 1/4885ADORA1 3/4885

“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.