SCHEMBL3615396

SCHEMBL3615396

CC(C)(C)OC(=O)NCC1CN(C[C@@H]2COc3c(F)cnc4ccc(=O)n2c34)CCC1O.COS(=O)(=O)C[C@@H]1COc2c(F)cnc3ccc(=O)n1c23

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
KCNH2 Q12809 1/20 0.31
BRD4 O60885 1/20 0.30

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
SCHEMBL3618368 0.92 JAK2 (0.37) JAK2JAK1BRD4
SCHEMBL3620967 0.92 JAK2 (0.37) JAK2JAK1BRD4
SCHEMBL3606693 0.88 RET (0.35) JAK2JAK1KCNH2
SCHEMBL3611471 0.88 RET (0.35) JAK2JAK1KCNH2
SCHEMBL3615008 0.87 KCNA3 (0.36) JAK2JAK1KCNH2
SCHEMBL3609957 0.87 KCNA3 (0.36) JAK2JAK1KCNH2
SCHEMBL3607636 0.86 KCNH2 (0.31) KCNH2
SCHEMBL3618356 0.79 KCNH2 (0.35) KCNH2
SCHEMBL3618787 0.79 KCNA3 (0.36) JAK2JAK1BRD4
SCHEMBL3611264 0.77 KCNA3 (0.38) JAK2JAK1KCNH2

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 4487/4885KCNH2 2914/4885

“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.