SCHEMBL5160796

SCHEMBL5160796

COc1ccc(CCn2cnc3c(N)nc(Cl)nc32)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE8A O60658 5/20 0.59
NSD3 Q9BZ95 2/20 0.51
CDK1 P06493 1/20 0.50
CCNE2 O96020 1/20 0.50
CCNE1 P24864 1/20 0.50
CDK2 P24941 1/20 0.50
ADORA2A P29274 4/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
YTHDC1 Q96MU7 2/20 0.44
POLB P06746 1/20 0.44
TMIGD3 P0DMS9 2/20 0.43
ADORA1 P30542 2/20 0.43
ADORA2B P29275 1/20 0.43
NSD2 O96028 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43

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
SCHEMBL5161254 0.88 CCNE2 (0.52) PDE8ANSD3CCNE2CCNE1CDK2
SCHEMBL3441053 0.84 ADORA2A (0.65) PDE8ACDK1ADORA2AYTHDC1TMIGD3
SCHEMBL28932207 0.83 HSP90AB1 (0.61) ADORA2APOLBHSP90AA1HSP90AB1
SCHEMBL5161920 0.80 ADORA2A (0.54) NSD3ADORA2APOLBTMIGD3ADORA1
SCHEMBL5164686 0.79 ADORA2A (0.51) NSD3ADORA2APOLBTMIGD3ADORA1
SCHEMBL5159106 0.79 ADORA2A (0.51) NSD3ADORA2ATMIGD3ADORA1ADORA2B
SCHEMBL5163705 0.79 ADORA2A (0.74) CDK1ADORA2ATMIGD3ADORA1ADORA2B
SCHEMBL5160809 0.77 ADORA2A (0.48) NSD3ADORA2APOLBTMIGD3ADORA1
SCHEMBL5356677 0.77 ADORA2A (0.75) CDK1ADORA2ATMIGD3ADORA1ADORA2B
SCHEMBL3441081 0.76 CDK1 (0.64) PDE8ACDK1CCNE1CDK2ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 PDE8A 229/4885NSD3 3939/4885CDK1 1472/4885

“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.