SCHEMBL2197629

SCHEMBL2197629

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
AOC3 Q16853 5/20 0.38
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
RIPK1 Q13546 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35
F2R P25116 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL2195384 0.85 RIPK1 (0.37) KDM4EMEN1KMT2ASMN1; SMN2AOC3
SCHEMBL2196410 0.85 RIPK1 (0.37) KDM4EMEN1KMT2ASMN1; SMN2AOC3
SCHEMBL2202175 0.81 ALDH1A1 (0.49) KDM4EMEN1KMT2ASMN1; SMN2SLC6A2
SCHEMBL2202724 0.81 ALOX5 (0.43) KDM4EMEN1KMT2ASMN1; SMN2RIPK1
SCHEMBL2198620 0.80 ADRB2 (0.44) KDM4EMEN1KMT2ASMN1; SMN2CYP2D6
SCHEMBL2196598 0.80 ADRB2 (0.48) KDM4EMEN1KMT2AMAPTMAPK1
SCHEMBL2200379 0.80 ADRB2 (0.44) KDM4EMEN1KMT2ASMN1; SMN2CYP2D6
SCHEMBL1448846 0.78 ESR1 (0.42) SLC6A2SLC6A3MAPTALDH1A1CYP2D6
SCHEMBL2429212 0.78 ESR1 (0.42) SLC6A2SLC6A3MAPTALDH1A1CYP2D6
SCHEMBL2199716 0.78 AOC3 (0.41) KDM4EMEN1KMT2ASMN1; SMN2AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114942-B1 NOVEL AMINOPYRIMIDINE DERIVATIVES AS PLK1 INHIBITORS MSD KK (JP) 2012-10-31 EP disclosed
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 KDM4E 1233/4885MEN1 3180/4885KMT2A 904/4885

“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.