SCHEMBL5161695

SCHEMBL5161695

Clc1nc(Cl)c2ncn(CC3CCCCC3)c2n1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 4/20 0.70
CNR2 P34972 2/20 0.45
P2RX7 Q99572 2/20 0.44
PDE8A O60658 2/20 0.42
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
GRM1 Q13255 2/20 0.38
CYP11B2 P19099 1/20 0.38
PPARD Q03181 1/20 0.36
CYP2B6 P20813 1/20 0.36

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
SCHEMBL30332108 0.93 YTHDC1 (0.60) YTHDC1CNR2P2RX7PDE8ALMNA
SCHEMBL3441063 0.86 YTHDC1 (0.67) YTHDC1CNR2PDE8ALMNATP53
SCHEMBL2195860 0.86 YTHDC1 (0.54) YTHDC1P2RX7PDE8ALMNATP53
SCHEMBL27388471 0.83 YTHDC1 (1.00) YTHDC1
SCHEMBL336202 0.81 YTHDC1 (0.49) YTHDC1P2RX7PDE8ALMNATP53
SCHEMBL31329164 0.79 YTHDC1 (0.46) YTHDC1P2RX7PDE8ALMNATP53
SCHEMBL2911823 0.78 HSP90AA1 (0.51) YTHDC1
SCHEMBL20105702 0.77 YTHDC1 (0.50) YTHDC1CNR2PDE8ALMNAGRM1
SCHEMBL12537437 0.75 YTHDC1 (0.46) YTHDC1P2RX7
SCHEMBL30584024 0.75 ADORA2A (0.50) YTHDC1LMNATP53

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 YTHDC1 2858/4885CNR2 103/4885P2RX7 61/4885

“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.