SCHEMBL2197305

SCHEMBL2197305

CON(C)C(=O)CN(C)C(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
PRSS1 P07477 1/20 0.45
TPSAB1 Q15661 1/20 0.45
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
ABCB1 P08183 1/20 0.44
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SIGMAR1 Q99720 1/20 0.41
LMNA P02545 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41

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
SCHEMBL4748050 0.85 ALDH1A1 (0.44) ALDH1A1MAPTHPGDABCB1MAPK1
SCHEMBL21070425 0.84 ALDH1A1 (0.49) ALDH1A1PRSS1TPSAB1MAPTHPGD
SCHEMBL21069881 0.84 ALDH1A1 (0.49) ALDH1A1PRSS1TPSAB1MAPTHPGD
SCHEMBL21069664 0.83 ABCB1 (0.51) ALDH1A1PRSS1TPSAB1MAPTHPGD
SCHEMBL21070691 0.83 ABCB1 (0.51) ALDH1A1PRSS1TPSAB1MAPTHPGD
SCHEMBL316882 0.83 ALDH1A1 (0.55) ALDH1A1PRSS1TPSAB1MAPTHPGD
SCHEMBL27168324 0.82 ALDH1A1 (0.45) ALDH1A1MAPTHPGDABCB1MAPK1
SCHEMBL25461074 0.82 ABCB1 (0.55) ALDH1A1PRSS1TPSAB1MAPTHPGD
SCHEMBL6447135 0.81 ALDH1A1 (0.53) ALDH1A1PRSS1TPSAB1MAPTHPGD
Hydrochloric Acid SCHEMBL6444517 0.81 ALDH1A1 (0.53) ALDH1A1PRSS1TPSAB1MAPTHPGD

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 ALDH1A1 3451/4885PRSS1 3443/4885TPSAB1 4671/4885

“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.