SCHEMBL2197918

SCHEMBL2197918

C[C@@H](c1ccc(C(=O)C2CN(C(c3ccccc3)c3ccccc3)C2)cc1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 12/20 0.44
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
OPRK1 P41145 1/20 0.39
OPRM1 P35372 2/20 0.38
ALDH1A1 P00352 1/20 0.37
SLC6A9 P48067 1/20 0.37

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
SCHEMBL2202199 0.82 KMT2A (0.40) OPRD1MEN1KMT2AOPRK1OPRM1
SCHEMBL3299615 0.79 MAOB (0.53) OPRD1KMT2AALDH1A1SLC6A9
SCHEMBL4438292 0.78 OPRD1 (0.41) OPRD1MEN1KMT2AOPRK1OPRM1
SCHEMBL4388699 0.78 KMT2A (0.45) OPRD1MEN1KMT2AOPRK1OPRM1
SCHEMBL2196605 0.77 OPRL1 (0.44) OPRD1MEN1KMT2AOPRK1OPRM1
SCHEMBL5225078 0.76 MGLL (0.51) OPRD1MEN1KMT2AOPRK1OPRM1
SCHEMBL7257984 0.76 HSD11B1 (0.51) OPRD1MEN1KMT2AOPRK1OPRM1
SCHEMBL27872585 0.76 OPRD1 (0.40) OPRD1MEN1KMT2AOPRM1
SCHEMBL27872584 0.76 CTSK (0.47) OPRD1MEN1KMT2A
SCHEMBL3300275 0.73 MGLL (0.51) MEN1KMT2ASLC6A9

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 4402/4885MEN1 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.