SCHEMBL17361148

SCHEMBL17361148

C[C@@H]1CNc2c(sc3ccc(C(=O)Nc4cccc(NC(=O)C=CCN(C)C)c4)cc23)C(=O)N1

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 14/20 0.75
▸ CDK1 P06493 8/20 0.49
▸ CDK7 P50613 2/20 0.46
▸ CCNH P51946 2/20 0.46
▸ MNAT1 P51948 1/20 0.46
▸ PIP4K2A P48426 3/20 0.45
▸ PIP4K2B P78356 3/20 0.45
▸ IRAK1 P51617 1/20 0.43

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
SCHEMBL16123211 1.00 MAPKAPK2 (0.75) MAPKAPK2CDK1CDK7CCNHMNAT1
SCHEMBL16100755 0.91 MAPKAPK2 (0.71) MAPKAPK2CDK1CDK7CCNHMNAT1
SCHEMBL16123206 0.90 MAPKAPK2 (0.75) MAPKAPK2CDK1
SCHEMBL17361156 0.90 MAPKAPK2 (0.75) MAPKAPK2CDK1
SCHEMBL16123348 0.87 MAPKAPK2 (0.56) MAPKAPK2CDK1
SCHEMBL17361082 0.87 MAPKAPK2 (0.56) MAPKAPK2CDK1
SCHEMBL16101489 0.86 MAPKAPK2 (1.00) MAPKAPK2CDK1
SCHEMBL16123101 0.83 MAPKAPK2 (0.53) MAPKAPK2CDK1PIP4K2APIP4K2B
SCHEMBL16100870 0.82 MAPKAPK2 (0.70) MAPKAPK2CDK1
SCHEMBL16123306 0.81 MAPKAPK2 (0.54) MAPKAPK2CDK1CDK7CCNHMNAT1

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 3 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-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

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 114/4885CDK7 88/4885
US-10138256-B2 MK2 inhibitors and uses thereof MKNK2, DUSP2, MKNK1 MAPKAPK2 7/4885CDK1 114/4885CDK7 88/4885
US-20190135835-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, DUSP2, MKNK1 MAPKAPK2 7/4885CDK1 114/4885CDK7 88/4885

“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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