SCHEMBL3618368

SCHEMBL3618368

CC(C)(C)OC(=O)NC[C@@H]1CCN(C[C@@H]2COc3c(F)cnc4ccc(=O)n2c34)C1.COS(=O)(=O)C[C@@H]1COc2c(F)cnc3ccc(=O)n1c23

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.37
JAK1 P23458 3/20 0.37
DDR1 Q08345 3/20 0.35
CKS1B P61024 1/20 0.34
SKP1 P63208 1/20 0.34
SKP2 Q13309 1/20 0.34
ACACB O00763 5/20 0.33
ACACA Q13085 4/20 0.33
DRD2 P14416 2/20 0.33
SLC2A1 P11166 1/20 0.32
BRD4 O60885 1/20 0.31
CCRL2 O00421 1/20 0.31
RORC P51449 1/20 0.31
EEF2K O00418 1/20 0.31

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
SCHEMBL3620967 1.00 JAK2 (0.37) JAK2JAK1DDR1CKS1BSKP1
SCHEMBL3615396 0.92 JAK2 (0.32) JAK2JAK1BRD4
SCHEMBL3609957 0.88 KCNA3 (0.36) JAK2JAK1CKS1BSKP1SKP2
SCHEMBL3615008 0.88 KCNA3 (0.36) JAK2JAK1CKS1BSKP1SKP2
SCHEMBL3611471 0.87 RET (0.35) JAK2JAK1SLC2A1
SCHEMBL3606693 0.87 RET (0.35) JAK2JAK1SLC2A1
SCHEMBL3618787 0.80 KCNA3 (0.36) JAK2JAK1DDR1CKS1BSKP1
SCHEMBL3611264 0.79 KCNA3 (0.38) JAK2JAK1DRD2
SCHEMBL3618320 0.76 KCNH2 (0.34)
SCHEMBL3611048 0.76 KCNH2 (0.34)

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-20100087424-A1 TRICYCLIC NITROGEN CONTAINING HETEROCYCLES AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED 2010-04-08 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-20100087424-A1 TRICYCLIC NITROGEN CONTAINING HETEROCYCLES AS ANTIBACTERIAL AGENTS NRDC, NDC1, NANS JAK2 4263/4885JAK1 4487/4885DDR1 4197/4885

“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.