SCHEMBL3609957

SCHEMBL3609957

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.36
AAK1 Q2M2I8 2/20 0.36
ATM Q13315 1/20 0.36
JAK1 P23458 4/20 0.34
JAK2 O60674 3/20 0.34
KCNH2 Q12809 1/20 0.34
CKS1B P61024 1/20 0.34
SKP1 P63208 1/20 0.34
SKP2 Q13309 1/20 0.34
CCR5 P51681 1/20 0.34
NPY5R Q15761 1/20 0.34
DRD2 P14416 2/20 0.33
KDM4D Q6B0I6 3/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32

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
SCHEMBL3615008 1.00 KCNA3 (0.36) KCNA3AAK1ATMJAK1JAK2
SCHEMBL3618787 0.91 KCNA3 (0.36) KCNA3AAK1ATMJAK1JAK2
SCHEMBL3606693 0.91 RET (0.35) AAK1ATMJAK1JAK2KCNH2
SCHEMBL3611471 0.91 RET (0.35) AAK1ATMJAK1JAK2KCNH2
SCHEMBL3611264 0.90 KCNA3 (0.38) KCNA3AAK1ATMJAK1JAK2
SCHEMBL3620967 0.88 JAK2 (0.37) JAK1JAK2CKS1BSKP1SKP2
SCHEMBL3618368 0.88 JAK2 (0.37) JAK1JAK2CKS1BSKP1SKP2
SCHEMBL3615396 0.87 JAK2 (0.32) JAK1JAK2KCNH2
SCHEMBL3620020 0.83 KCNH2 (0.41) KCNH2
SCHEMBL3611170 0.83 KCNH2 (0.41) KCNH2

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 4422/4885ATM 3678/4885

“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.