SCHEMBL16123102

SCHEMBL16123102

C[C@@H]1CNc2c(sc3ccc4nc(Nc5ccccc5NC(=O)/C=C/CN(C)C)ccc4c23)C(=O)N1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 20/20 0.55
▸ CDK1 P06493 12/20 0.55
▸ RIPK2 O43353 1/20 0.48
▸ CCNB2 O95067 1/20 0.48
▸ ABCB11 O95342 1/20 0.48
▸ PIM1 P11309 1/20 0.48
▸ CCNB1 P14635 1/20 0.48
▸ PHKG2 P15735 1/20 0.48
▸ AXL P30530 1/20 0.48
▸ CDK5 Q00535 1/20 0.48
▸ MERTK Q12866 1/20 0.48
▸ PRKAA1 Q13131 1/20 0.48
▸ CAMK2B Q13554 1/20 0.48
▸ CDK5R1 Q15078 1/20 0.48
▸ MAPKAPK3 Q16644 1/20 0.48
▸ MAPKAPK5 Q8IW41 1/20 0.48
▸ BRSK2 Q8IWQ3 1/20 0.48
▸ BRSK1 Q8TDC3 1/20 0.48
▸ CCNB3 Q8WWL7 1/20 0.48
▸ MAP3K5 Q99683 1/20 0.48

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
SCHEMBL17361132 1.00 MAPKAPK2 (0.55) MAPKAPK2CDK1RIPK2CCNB2ABCB11
SCHEMBL16123386 0.88 MAPKAPK2 (0.67) MAPKAPK2CDK1RIPK2CCNB2ABCB11
SCHEMBL16123101 0.86 MAPKAPK2 (0.53) MAPKAPK2CDK1ABCB11
SCHEMBL16123206 0.79 MAPKAPK2 (0.75) MAPKAPK2CDK1
SCHEMBL17361156 0.79 MAPKAPK2 (0.75) MAPKAPK2CDK1
SCHEMBL30877791 0.76 MAPKAPK2 (0.73) MAPKAPK2CDK1RIPK2CCNB2ABCB11
SCHEMBL17581205 0.74 MAPKAPK2 (0.72) MAPKAPK2CDK1RIPK2CCNB2ABCB11
SCHEMBL17581135 0.74 MAPKAPK2 (0.65) MAPKAPK2CDK1RIPK2CCNB2ABCB11
SCHEMBL17588994 0.73 MAPKAPK2 (0.66) MAPKAPK2CDK1RIPK2CCNB2ABCB11
SCHEMBL18790502 0.73 MAPKAPK2 (0.61) MAPKAPK2CDK1RIPK2CCNB2ABCB11

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 114/4885RIPK2 398/4885
US-10138256-B2 MK2 inhibitors and uses thereof MKNK2, DUSP2, MKNK1 MAPKAPK2 7/4885CDK1 114/4885RIPK2 398/4885
US-20190135835-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, DUSP2, MKNK1 MAPKAPK2 7/4885CDK1 114/4885RIPK2 398/4885

“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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