SCHEMBL16123385

SCHEMBL16123385

C=CC(=O)Nc1cc(-c2ccc3c(ccc4sc5c(c43)NC[C@@H](C)NC5=O)n2)ccc1N1CCN(C)CC1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 19/20 0.80
▸ CDK1 P06493 10/20 0.58
▸ ABCB11 O95342 2/20 0.56
▸ RIPK2 O43353 1/20 0.56
▸ CCNB2 O95067 1/20 0.56
▸ PIM1 P11309 1/20 0.56
▸ CCNB1 P14635 1/20 0.56
▸ PHKG2 P15735 1/20 0.56
▸ AXL P30530 1/20 0.56
▸ CDK5 Q00535 1/20 0.56
▸ MERTK Q12866 1/20 0.56
▸ PRKAA1 Q13131 1/20 0.56
▸ CAMK2B Q13554 1/20 0.56
▸ CDK5R1 Q15078 1/20 0.56
▸ MAPKAPK3 Q16644 1/20 0.56
▸ MAPKAPK5 Q8IW41 1/20 0.56
▸ BRSK2 Q8IWQ3 1/20 0.56
▸ BRSK1 Q8TDC3 1/20 0.56
▸ CCNB3 Q8WWL7 1/20 0.56
▸ MAP3K5 Q99683 1/20 0.56

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
SCHEMBL16123344 0.89 MAPKAPK2 (1.00) MAPKAPK2CDK1ABCB11RIPK2CCNB2
SCHEMBL16123070 0.87 MAPKAPK2 (0.85) MAPKAPK2CDK1ABCB11RIPK2CCNB2
SCHEMBL16123219 0.87 MAPKAPK2 (1.00) MAPKAPK2CDK1ABCB11RIPK2CCNB2
SCHEMBL16123347 0.87 MAPKAPK2 (0.84) MAPKAPK2CDK1ABCB11RIPK2CCNB2
SCHEMBL16123307 0.85 MAPKAPK2 (0.85) MAPKAPK2CDK1ABCB11RIPK2CCNB2
SCHEMBL16122855 0.85 MAPKAPK2 (0.81) MAPKAPK2CDK1ABCB11RIPK2CCNB2
SCHEMBL16123191 0.85 MAPKAPK2 (0.80) MAPKAPK2CDK1ABCB11RIPK2CCNB2
SCHEMBL16123160 0.84 MAPKAPK2 (0.86) MAPKAPK2CDK1ABCB11RIPK2CCNB2
SCHEMBL17368537 0.84 MAPKAPK2 (0.86) MAPKAPK2CDK1ABCB11RIPK2CCNB2
SCHEMBL16123164 0.83 MAPKAPK2 (0.88) MAPKAPK2CDK1ABCB11RIPK2CCNB2

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 7 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-20190135835-A1 MK2 INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-05-09 — — US disclosed
US-10138256-B2 MK2 inhibitors and uses thereof CELGENE CAR LLC (BM) 2018-11-27 — — 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
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 (3 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 7/4885CDK1 114/4885ABCB11 3234/4885
US-10138256-B2 MK2 inhibitors and uses thereof MKNK2, DUSP2, MKNK1 MAPKAPK2 7/4885CDK1 114/4885ABCB11 3234/4885
US-20190135835-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, DUSP2, MKNK1 MAPKAPK2 7/4885CDK1 114/4885ABCB11 3234/4885

“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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