SCHEMBL2195396

SCHEMBL2195396

CNCC(=O)c1ccc([C@H](C)N(C(=O)O)C(C)(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP5 P45974 1/20 0.38
DPP4 P27487 4/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NR1H4 Q96RI1 2/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.31
AGTR1 P30556 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ATM Q13315 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
OPRD1 P41143 2/20 0.31
OPRM1 P35372 1/20 0.31

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
SCHEMBL2195582 0.83 GSK3B (0.45) USP5L3MBTL1POLB
SCHEMBL2202175 0.82 ALDH1A1 (0.49) USP5L3MBTL1POLBALDH1A1MAPT
SCHEMBL2198695 0.79 MAPT (0.39) L3MBTL1NR1H4ALDH1A1NPC1RAB9A
SCHEMBL2429212 0.76 ESR1 (0.42) ALDH1A1MAPTOPRM1
SCHEMBL1448846 0.76 ESR1 (0.42) ALDH1A1MAPTOPRM1
SCHEMBL2197914 0.76 MEN1 (0.41) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2107176 0.75 PPARA (0.41) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2239284 0.75 PPARA (0.41) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2197829 0.74 MTOR (0.31)
SCHEMBL1270470 0.74 ALOX5 (0.51) POLBALDH1A1SMN1; SMN2MEN1KMT2A

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-7977336-B2 Aminopyrimidine derivatives as PLK1 inhibitors BANYU PHARMACEUTICAL CO. LTD (JP) 2011-07-12 US disclosed
EP-2116543-A1 NOVEL AMINOPYRIMIDINE DERIVATIVE AS PLK1 INHIBITOR BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-11-11 EP disclosed
US-20080305081-A1 Novel aminopyrimidine derivatives as PLK1 inhibitors BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-12-11 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 (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-20080305081-A1 Novel aminopyrimidine derivatives as PLK1 inhibitors PLK1, AURKA, CDK1 USP5 2310/4885DPP4 3044/4885L3MBTL1 1666/4885

“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.