Sugi Predict

Sugi Predict / Compounds / SCHEMBL8979421

SCHEMBL8979421

SCHEMBL8979421

CCn1c(N)c(NC(=O)c2cnn(Cc3cccc(C)c3)c2)c(=O)[nH]c1=O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 13/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ ADORA2B P29275 2/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ ERCC5 P28715 1/20 0.40
▸ TAS2R8 Q9NYW2 1/20 0.40
▸ ADORA3 P0DMS8 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
SCHEMBL1546735 0.88 ADORA2B (0.53) SMN1; SMN2ADORA2BADORA2AADORA1ADORA3
SCHEMBL8979367 0.83 ADORA2A (0.51) KLKB1KMT2AKDM4EMEN1LMNA
SCHEMBL8979404 0.82 ADORA2B (0.49) KLKB1KMT2AADORA2BADORA2AADORA1
SCHEMBL1546548 0.78 ADORA2B (0.48) ADORA2BADORA2AADORA1ADORA3
SCHEMBL1546750 0.74 ADORA2B (0.52) KLKB1ADORA2BADORA2AADORA1ADORA3
SCHEMBL1546641 0.73 ADORA2B (0.56) KLKB1ADORA2BADORA2AADORA1ADORA3
SCHEMBL1546032 0.73 ADORA2B (0.54) KLKB1ADORA2BADORA2AADORA1ADORA3
SCHEMBL244147 0.72 ADORA2B (0.55) ADORA2BADORA2AADORA1ADORA3
SCHEMBL1546706 0.72 ADORA2B (0.49) KLKB1ADORA2BADORA2AADORA1ADORA3
SCHEMBL1723697 0.72 ADORA2B (0.52) KLKB1ADORA2BADORA2AADORA1ADORA3

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 KLKB1 1719/4885KMT2A 1817/4885KDM4E 3248/4885
US-20120220608-A1 METHOD OF PREVENTING AND TREATING HEPATIC DISEASE USING A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 KLKB1 1719/4885KMT2A 1817/4885KDM4E 3248/4885
US-20110184002-A1 METHOD OF TREATING HEPATIC DISEASE USING A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 KLKB1 1634/4885KMT2A 1814/4885KDM4E 3354/4885

“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.