SCHEMBL16123414

SCHEMBL16123414

CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)c2ccc3cc4n(c3c2)C2(CCC2)CNC4=O)C1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 10/20 0.49
▸ CLK1 P49759 1/20 0.49
▸ GSK3B P49841 1/20 0.49
▸ MAP3K14 Q99558 1/20 0.49
▸ PADI4 Q9UM07 4/20 0.46
▸ NPC1L1 Q9UHC9 2/20 0.42
▸ CDK4 P11802 2/20 0.41
▸ CCND1 P24385 2/20 0.41
▸ CDK2 P24941 2/20 0.41
▸ RPS6KA2 Q15349 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41

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
SCHEMBL16102086 0.88 MAPKAPK2 (0.52) MAPKAPK2CLK1GSK3BMAP3K14CDK4
SCHEMBL17361106 0.88 MAPKAPK2 (0.55) MAPKAPK2CLK1GSK3BMAP3K14RPS6KA2
SCHEMBL16123225 0.88 MAPKAPK2 (0.55) MAPKAPK2CLK1GSK3BMAP3K14RPS6KA2
SCHEMBL16123368 0.86 MAPKAPK2 (0.56) MAPKAPK2CLK1GSK3BMAP3K14CDK4
SCHEMBL16123264 0.86 MAPKAPK2 (0.56) MAPKAPK2CLK1GSK3BMAP3K14CDK4
SCHEMBL16123493 0.82 MAPKAPK2 (0.52) MAPKAPK2CLK1GSK3BMAP3K14RPS6KA2
SCHEMBL17361152 0.81 MAPKAPK2 (0.49) MAPKAPK2CLK1GSK3BMAP3K14PADI4
SCHEMBL16123417 0.81 MAPKAPK2 (0.49) MAPKAPK2CLK1GSK3BMAP3K14PADI4
SCHEMBL17361157 0.80 MAPKAPK2 (0.49) MAPKAPK2CLK1GSK3BMAP3K14RPS6KA2
SCHEMBL16123420 0.80 MAPKAPK2 (0.49) MAPKAPK2CLK1GSK3BMAP3K14RPS6KA2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190135835-A1 MK2 INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-05-09 — — US disclosed
US-20150376208-A1 MK2 INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2015-12-31 — — US disclosed
US-20150376208-A1 MK2 INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2015-12-31 — — US disclosed
WO-2014149164-A1 MK2 INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-09-25 — — WO 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 (2 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-20150376208-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, DUSP2, MKNK1 MAPKAPK2 7/4885CLK1 1154/4885GSK3B 260/4885
US-20190135835-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, DUSP2, MKNK1 MAPKAPK2 7/4885CLK1 1154/4885GSK3B 260/4885

“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.

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