SCHEMBL5118901

SCHEMBL5118901

CC(C)(C)OC(=O)N1CCC(COc2ccc3nnc(N)nc3c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 3/20 0.56
SLC2A1 P11166 1/20 0.48
GPR119 Q8TDV5 11/20 0.48
HDAC1 Q13547 1/20 0.45
ALOX5AP P20292 1/20 0.44
FEN1 P39748 1/20 0.44
BACE1 P56817 1/20 0.44

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
SCHEMBL2735417 0.83 CHEK2 (0.60) CHEK2SLC2A1GPR119ALOX5APFEN1
SCHEMBL5104980 0.83 CHEK2 (0.43) CHEK2BACE1
Bromide SCHEMBL215056 0.83 CHEK2 (0.59) CHEK2SLC2A1GPR119ALOX5APFEN1
SCHEMBL215733 0.81 CHEK2 (0.54) CHEK2SLC2A1GPR119HDAC1ALOX5AP
SCHEMBL2735420 0.80 CHEK2 (0.59) CHEK2SLC2A1GPR119HDAC1
SCHEMBL213773 0.80 GPR119 (0.57) CHEK2SLC2A1GPR119HDAC1ALOX5AP
SCHEMBL215986 0.79 CHEK2 (0.52) CHEK2SLC2A1GPR119HDAC1ALOX5AP
SCHEMBL22918743 0.79 CHEK2 (0.52) CHEK2SLC2A1GPR119HDAC1ALOX5AP
SCHEMBL29615310 0.79 CHEK2 (0.52) CHEK2SLC2A1GPR119HDAC1ALOX5AP
SCHEMBL26668458 0.79 SLC2A1 (0.59) CHEK2SLC2A1GPR119

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-20080234276-A1 Heterocyclic Triazines as Hypoxic Selective Protein Kinase Inhibitors SENTINEL ONCOLOGY LIMITED (UK) 2008-09-25 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-20080234276-A1 Heterocyclic Triazines as Hypoxic Selective Protein Kinase Inhibitors HIF1AN, HIF1A, CDK2 CHEK2 137/4885SLC2A1 2572/4885GPR119 2030/4885

“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.