SCHEMBL3618787

SCHEMBL3618787

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

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.36
ATM Q13315 1/20 0.36
JAK1 P23458 4/20 0.34
JAK2 O60674 3/20 0.34
CKS1B P61024 1/20 0.34
SKP1 P63208 1/20 0.34
SKP2 Q13309 1/20 0.34
AAK1 Q2M2I8 3/20 0.34
CCR5 P51681 1/20 0.34
DRD2 P14416 2/20 0.33
DDR1 Q08345 1/20 0.33
BRD4 O60885 2/20 0.32
NAMPT P43490 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
OGFRL1 Q5TC84 1/20 0.32
KDM4D Q6B0I6 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
SCHEMBL3609957 0.91 KCNA3 (0.36) KCNA3ATMJAK1JAK2CKS1B
SCHEMBL3615008 0.91 KCNA3 (0.36) KCNA3ATMJAK1JAK2CKS1B
SCHEMBL3611264 0.90 KCNA3 (0.38) KCNA3ATMJAK1JAK2AAK1
SCHEMBL3614656 0.83 TOP2A (0.36)
SCHEMBL3606693 0.82 RET (0.35) ATMJAK1JAK2AAK1
SCHEMBL3611471 0.82 RET (0.35) ATMJAK1JAK2AAK1
SCHEMBL3620967 0.80 JAK2 (0.37) JAK1JAK2CKS1BSKP1SKP2
SCHEMBL3618368 0.80 JAK2 (0.37) JAK1JAK2CKS1BSKP1SKP2
SCHEMBL3615396 0.79 JAK2 (0.32) JAK1JAK2BRD4
SCHEMBL4590167 0.74 KCNA3 (0.41) KCNA3CKS1BSKP1SKP2CCR5

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 3759/4885ATM 3678/4885JAK1 4487/4885

“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.