SCHEMBL2202199

SCHEMBL2202199

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
OPRD1 P41143 8/20 0.40
SLC6A9 P48067 3/20 0.38
ALDH1A1 P00352 3/20 0.37
POLB P06746 1/20 0.37
OPRK1 P41145 2/20 0.36
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
CACNA2D1 P54289 1/20 0.35
CACNA1B Q00975 1/20 0.35
CACNB1 Q02641 1/20 0.35
CACNA1C Q13936 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL2196621 0.88 DHODH (0.32) SLC6A9
SCHEMBL4388699 0.84 KMT2A (0.45) KMT2AMEN1OPRD1SLC6A9ALDH1A1
SCHEMBL2197918 0.82 OPRD1 (0.44) KMT2AMEN1OPRD1SLC6A9ALDH1A1
SCHEMBL2198755 0.80 CCR5 (0.39) ALDH1A1KDM4E
SCHEMBL13504603 0.78 KDM4E (0.39) CACNA2D1CACNA1BCACNB1CACNA1CKDM4E
SCHEMBL2198579 0.78 KDM4E (0.39) CACNA2D1CACNA1BCACNB1CACNA1CKDM4E
SCHEMBL2196605 0.78 OPRL1 (0.44) KMT2AMEN1OPRD1OPRK1OPRM1
SCHEMBL2196452 0.77 OPRD1 (0.41) OPRD1
SCHEMBL2200188 0.74 KDM1A (0.38)
SCHEMBL3317446 0.71 KMT2A (0.48) KMT2AMEN1OPRD1SLC6A9ALDH1A1

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 KMT2A 904/4885MEN1 3180/4885OPRD1 4402/4885

“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.