SCHEMBL21534087

SCHEMBL21534087

CC(C)n1c(=O)c2ncn(C)c2n(C)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 3/20 0.43
LMNA P02545 3/20 0.41
ADORA2A P29274 2/20 0.39
POLB P06746 2/20 0.39
PIK3CD O00329 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CNR1 P21554 1/20 0.39
ACHE P22303 1/20 0.39
ADORA1 P30542 1/20 0.39
NTSR1 P30989 1/20 0.39
MC3R P41968 1/20 0.39
NOTUM Q6P988 1/20 0.39
SIRT3 Q9NTG7 1/20 0.39
GDA Q9Y2T3 1/20 0.39
NR2E1 Q9Y466 1/20 0.39
ALDH1A1 P00352 3/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33

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
Isocaffiene SCHEMBL515995 0.82 LMNA (0.57) ADORA2BLMNAADORA2APOLBPIK3CD
SCHEMBL15086862 0.75 LMNA (0.40) ADORA2BLMNAADORA2APOLBPIK3CD
SCHEMBL22471375 0.75 PDE4A (0.49) ADORA2BLMNAADORA2APDE4APDE4B
SCHEMBL23974902 0.73 LMNA (0.39) ADORA2BLMNAADORA2APOLBPIK3CD
SCHEMBL10958621 0.72 ADORA2B (0.69) ADORA2BLMNAADORA2APOLBPIK3CD
SCHEMBL23974900 0.71 ADORA3 (0.52) ADORA2BPOLBADORA3ALDH1A1CYP3A4
SCHEMBL13111707 0.71 PDE1A (0.49) LMNAADORA2AADORA1ALDH1A1PDE4A
SCHEMBL23473311 0.71 LMNA (0.40) ADORA2BLMNAADORA2APOLBPIK3CD
SCHEMBL13153172 0.70 CYP3A4 (0.41) ADORA2BLMNAADORA2APOLBGDA
SCHEMBL23974894 0.68 LMNA (0.38) ADORA2BLMNAADORA2AALDH1A1PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10464960-B2 Salen complexes with dianionic counterions SAUDI ARAMCO TECHNOLOGIES COMPANY (SA) 2019-11-05 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 (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-10464960-B2 Salen complexes with dianionic counterions NCLN, POLN, NCL ADORA2B 3680/4885LMNA 938/4885ADORA2A 3937/4885

“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.