SCHEMBL2198579

SCHEMBL2198579

C[C@@H](c1ccc(C(O)C2CCN(C)CC2)cc1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
HTR2A P28223 5/20 0.38
HTR2C P28335 3/20 0.38
CYP2D6 P10635 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
HTR7 P34969 1/20 0.36
DHODH Q02127 1/20 0.36
CCR5 P51681 1/20 0.35
HRH1 P35367 1/20 0.35
CACNA2D1 P54289 1/20 0.35
CACNA1B Q00975 1/20 0.35
CACNB1 Q02641 1/20 0.35
CACNA1C Q13936 1/20 0.35
CHRM3 P20309 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
SCHEMBL13504603 1.00 KDM4E (0.39) KDM4ECARM1PRMT6HTR2AHTR2C
SCHEMBL2198755 0.89 CCR5 (0.39) KDM4ECARM1PRMT6HTR2AHTR2C
SCHEMBL2200188 0.85 KDM1A (0.38)
SCHEMBL2196452 0.84 OPRD1 (0.41) DHODH
SCHEMBL2196621 0.82 DHODH (0.32) DHODHCCR5
SCHEMBL2199776 0.81 CHRNB4 (0.39) CYP2D6
SCHEMBL2197716 0.79 GAA (0.57) KDM4E
SCHEMBL2202199 0.78 KMT2A (0.40) KDM4ECACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL2427683 0.78 RORC (0.46) KDM4EHTR2AHTR2CHTR7
SCHEMBL3555287 0.74 CHKA (0.46)

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 1233/4885CARM1 845/4885PRMT6 201/4885

“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.