SCHEMBL1286253

SCHEMBL1286253

CCCn1cnc2c(N)nc(SCCc3ccccc3)nc21

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.64
ADORA1 P30542 7/20 0.64
TMIGD3 P0DMS9 6/20 0.64
ADORA2B P29275 3/20 0.64
ADORA3 P0DMS8 1/20 0.52
ABCB1 P08183 2/20 0.48
SLC29A1 Q99808 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HIF1A Q16665 1/20 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
SCHEMBL1286288 0.94 ADORA2A (0.64) ADORA2AADORA1TMIGD3ADORA2BADORA3
SCHEMBL1286303 0.92 ADORA2A (0.56) ADORA2AADORA1TMIGD3ADORA2BADORA3
SCHEMBL5162437 0.92 ADORA2A (0.61) ADORA2AADORA1TMIGD3ADORA2BADORA3
SCHEMBL5163493 0.91 ADORA2A (0.55) ADORA2AADORA1TMIGD3ADORA2BADORA3
SCHEMBL1286257 0.91 ADORA2A (0.63) ADORA2AADORA1TMIGD3ADORA2BADORA3
SCHEMBL1286132 0.88 ADORA2A (0.57) ADORA2AADORA1TMIGD3ADORA2BADORA3
SCHEMBL5161279 0.87 ADORA2A (0.56) ADORA2AADORA1TMIGD3ADORA2BADORA3
SCHEMBL7212587 0.87 PDE4A (0.59) ADORA2AADORA1TMIGD3ADORA2BADORA3
SCHEMBL29387777 0.86 ADORA2A (0.55) ADORA2AADORA1TMIGD3ADORA2BADORA3
SCHEMBL5177683 0.86 ADORA2A (0.57) ADORA2AADORA1TMIGD3ADORA2BADORA3

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-20120088765-A1 PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2012-04-12 US claimed
US-7189730-B2 A2A adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2007-03-13 US disclosed
EP-1456209-B1 A2A ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS INC (US) 2007-02-28 EP disclosed
EP-1456209-A1 A2A ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2004-09-15 EP disclosed
US-20030149060-A1 A2A adenosine receptor antagonists CV THERAPEUTICS, INC. 2003-08-07 US disclosed
WO-2003051882-A1 A2A ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2003-06-26 WO 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 (2 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-20030149060-A1 A2A adenosine receptor antagonists ADORA2A, ADORA2B, ADORA3 ADORA2A 1/4885ADORA1 4/4885TMIGD3 1730/4885
US-20120088765-A1 PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME PNP, TYMP, DPYD ADORA2A 23/4885ADORA1 42/4885TMIGD3 3250/4885

“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.