SCHEMBL5111378

SCHEMBL5111378

CC(C)(C)OC(=O)N1CCN(c2ccc(Nc3nc4ccccc4[n+]([O-])n3)cn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.48
CRBN Q96SW2 1/20 0.48
CKS1B P61024 2/20 0.46
SKP1 P63208 2/20 0.46
SKP2 Q13309 2/20 0.46
CCNK O75909 1/20 0.45
CCNA2 P20248 1/20 0.45
CDK2 P24941 1/20 0.45
CCND3 P30281 1/20 0.45
CDK9 P50750 1/20 0.45
CDK6 Q00534 1/20 0.45
WNT3A P56704 1/20 0.44
GPR119 Q8TDV5 3/20 0.43
MAP4K4 O95819 1/20 0.43
JAK2 O60674 2/20 0.43
JAK3 P52333 2/20 0.43
PTPN11 Q06124 1/20 0.42
PGK1 P00558 1/20 0.42
GBA1 P04062 1/20 0.42
NAMPT P43490 2/20 0.41

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
SCHEMBL5112928 0.88 JAK2 (0.56) CCNKCCNA2CDK2CCND3CDK9
SCHEMBL24590342 0.75 DDB1 (0.63) DDB1CRBNCKS1BSKP1SKP2
SCHEMBL10206149 0.73 CCND3 (0.51) DDB1CRBNCKS1BSKP1SKP2
SCHEMBL24641499 0.72 DDB1 (0.54) DDB1CRBNCKS1BSKP1SKP2
SCHEMBL4246566 0.71 DDB1 (0.53) DDB1CRBNCKS1BSKP1SKP2
SCHEMBL27093554 0.71 CKS1B (0.56) DDB1CRBNCKS1BSKP1SKP2
SCHEMBL30261848 0.71 DDB1 (0.62) DDB1CRBNCKS1BSKP1SKP2
SCHEMBL28956351 0.71 DDB1 (0.62) DDB1CRBNCKS1BSKP1SKP2
SCHEMBL22119644 0.71 DDB1 (0.56) DDB1CRBNCKS1BSKP1SKP2
SCHEMBL4063357 0.71 CKS1B (0.69) CKS1BSKP1SKP2GPR119MAP4K4

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 3 patents. 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
EP-1846392-A2 HETEROCYCLIC TRIAZINES AS HYPOXIC SELECTIVE PROTEIN KINASE INHIBITORS Sentinel Oncology Limited (GB) 2007-10-24 EP disclosed
WO-2006131835-A2 HETEROCYCLIC TRIAZINES AS HYPOXIC SELECTIVE PROTEIN KINASE INHIBITORS SENTINEL ONCOLOGY LIMITED (GB) 2006-12-14 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-20080234276-A1 Heterocyclic Triazines as Hypoxic Selective Protein Kinase Inhibitors HIF1AN, HIF1A, CDK2 DDB1 959/4885CRBN 534/4885CKS1B 72/4885

“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.