SCHEMBL3611264

SCHEMBL3611264

CC(C)(C)OC(=O)NC1CCN(C[C@@H]2COc3c(C#N)cnc4ccc(=O)n2c34)CC1.COS(=O)(=O)C[C@@H]1COc2c(C#N)cnc3ccc(=O)n1c23

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.38
AAK1 Q2M2I8 2/20 0.38
NSD2 O96028 1/20 0.37
KCNH2 Q12809 3/20 0.37
RET P07949 3/20 0.36
ATM Q13315 1/20 0.35
KCNJ1 P48048 2/20 0.34
KDM4D Q6B0I6 1/20 0.34
SUV39H2 Q9H5I1 3/20 0.34
JAK2 O60674 2/20 0.34
JAK1 P23458 2/20 0.34
DRD2 P14416 1/20 0.34

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
SCHEMBL3618787 0.90 KCNA3 (0.36) KCNA3AAK1ATMKDM4DJAK2
SCHEMBL3615008 0.90 KCNA3 (0.36) KCNA3AAK1KCNH2ATMKDM4D
SCHEMBL3609957 0.90 KCNA3 (0.36) KCNA3AAK1KCNH2ATMKDM4D
SCHEMBL3615723 0.83 KCNH2 (0.40) KCNH2KCNJ1
SCHEMBL3611471 0.81 RET (0.35) AAK1KCNH2RETATMJAK2
SCHEMBL3606693 0.81 RET (0.35) AAK1KCNH2RETATMJAK2
SCHEMBL3618368 0.79 JAK2 (0.37) JAK2JAK1DRD2
SCHEMBL3620967 0.79 JAK2 (0.37) JAK2JAK1DRD2
SCHEMBL3615396 0.77 JAK2 (0.32) KCNH2JAK2JAK1
SCHEMBL4590167 0.75 KCNA3 (0.41) KCNA3KDM4DSUV39H2DRD2

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 KCNA3 3759/4885AAK1 4422/4885NSD2 910/4885

“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.