SCHEMBL2196452

SCHEMBL2196452

C[C@@H](c1ccc(C(O)C2CCNCC2)cc1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.41
SLC6A2 P23975 12/20 0.37
SLC6A4 P31645 12/20 0.37
SLC6A3 Q01959 9/20 0.37
DHODH Q02127 1/20 0.36
SMYD3 Q9H7B4 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
SCHEMBL2198579 0.84 KDM4E (0.39) DHODH
SCHEMBL13504603 0.84 KDM4E (0.39) DHODH
SCHEMBL2198755 0.82 CCR5 (0.39) DHODH
SCHEMBL2196621 0.81 DHODH (0.32) DHODH
SCHEMBL2200188 0.79 KDM1A (0.38)
SCHEMBL2202199 0.77 KMT2A (0.40) OPRD1
SCHEMBL2199776 0.74 CHRNB4 (0.39) SLC6A2SLC6A4SLC6A3
SCHEMBL2195384 0.74 RIPK1 (0.37)
SCHEMBL2196410 0.74 RIPK1 (0.37)
SCHEMBL2429212 0.73 ESR1 (0.42) SLC6A2SLC6A3

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 OPRD1 4402/4885SLC6A2 2443/4885SLC6A4 1719/4885

“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.