SCHEMBL2198755

SCHEMBL2198755

CC(C)N1CCC(C(O)c2ccc([C@H](C)N(C(=O)O)C(C)(C)C)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.39
ALDH1A1 P00352 1/20 0.36
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
DHODH Q02127 1/20 0.35
HTR2A P28223 3/20 0.34
CYP2D6 P10635 2/20 0.34
HTR2C P28335 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
KCNH2 Q12809 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
RORC P51449 1/20 0.34
HTR7 P34969 1/20 0.33
UBE2M P61081 1/20 0.33
DCUN1D1 Q96GG9 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
SCHEMBL13504603 0.89 KDM4E (0.39) CCR5CARM1PRMT6DHODHHTR2A
SCHEMBL2198579 0.89 KDM4E (0.39) CCR5CARM1PRMT6DHODHHTR2A
SCHEMBL2196621 0.89 DHODH (0.32) CCR5DHODH
SCHEMBL2200188 0.84 KDM1A (0.38) KCNH2RORC
SCHEMBL2196452 0.82 OPRD1 (0.41) DHODH
SCHEMBL2202199 0.80 KMT2A (0.40) ALDH1A1KDM4E
SCHEMBL2199776 0.77 CHRNB4 (0.39) CYP2D6
SCHEMBL27014465 0.75 CARM1 (0.56) ALDH1A1CARM1PRMT6HTR2ACYP2D6
SCHEMBL2197629 0.72 KDM4E (0.43) ALDH1A1CYP2D6KDM4E
SCHEMBL2195384 0.72 RIPK1 (0.37) KDM4ECYP3A4TSHR

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 6 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
EP-2114942-A1 NOVEL AMINOPYRIMIDINE DERIVATIVES AS PLK1 INHIBITORS 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
WO-2008081910-A1 NOVEL AMINOPYRIMIDINE DERIVATIVES AS PLK1 INHIBITORS BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-07-10 WO 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 CCR5 3403/4885ALDH1A1 3451/4885CARM1 845/4885

“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.