SCHEMBL5488429

SCHEMBL5488429

CC(NC(=O)CN(C)C)C(=O)Nc1cc(C(C)(C)c2ccccc2)n[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.37
MAPT P10636 1/20 0.36
MMP2 P08253 10/20 0.34
MMP1 P03956 2/20 0.34
MMP9 P14780 2/20 0.34
MMP8 P22894 2/20 0.34
AURKB Q96GD4 2/20 0.33
MAPK13 O15264 2/20 0.33
MAPK12 P53778 2/20 0.33
STK17A Q9UEE5 1/20 0.33
CDC7 O00311 1/20 0.33
IKBKB O14920 1/20 0.33
DAPK3 O43293 1/20 0.33
DYRK3 O43781 1/20 0.33
ROCK2 O75116 1/20 0.33
PRKD3 O94806 1/20 0.33
CDK1 P06493 1/20 0.33
PIM1 P11309 1/20 0.33
PRKACA P17612 1/20 0.33
CDK2 P24941 1/20 0.33

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
SCHEMBL8320279 1.00 MAPK1 (0.37) MAPK1MAPTMMP2MMP1MMP9
SCHEMBL8318141 0.90 ADORA1 (0.40) MAPK1MMP2MMP1MMP9MMP8
SCHEMBL5491537 0.90 ADORA1 (0.40) MAPK1MMP2MMP1MMP9MMP8
SCHEMBL5491108 0.87 ADORA1 (0.38) STK17ACDK1CDK2GSK3BCDK5
SCHEMBL8313019 0.87 ADORA1 (0.38) STK17ACDK1CDK2GSK3BCDK5
SCHEMBL2958400 0.82 MMP1 (0.35) MAPK1MAPTMMP2MMP1MMP9
SCHEMBL5489292 0.82 MMP1 (0.35) MAPK1MAPTMMP2MMP1MMP9
SCHEMBL8312713 0.82 MMP1 (0.35) MAPK1MAPTMMP2MMP1MMP9
SCHEMBL2954805 0.82 L3MBTL1 (0.41) MAPTMMP1CDK2
SCHEMBL2965432 0.82 TACR1 (0.43) MAPTMMP2MMP1MMP9MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2511267-A1 3-((N-ACYLATED AMINOACYL)AMINO)PYRAZOLES AS INHIBITORS OF BETA-AMYLOID PEPTIDE PRODUCTION USEFUL FOR THE TREATMENT OF ALZHEIMER'S DISEASE Elan Pharmaceuticals Inc. (US) 2012-10-17 EP claimed
US-20070197624-A1 Acylated amino acid amidyl pyrazoles and related compounds ELAN PHARMACEUTICALS, INC. (US) 2007-08-23 US claimed

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-20070197624-A1 Acylated amino acid amidyl pyrazoles and related compounds APP, BACE1, APH1A MAPK1 1262/4885MAPT 65/4885MMP2 1417/4885

“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.