SCHEMBL2199169

SCHEMBL2199169

Cc1cccn2c(-c3nc(N[C@@H](C)c4ccc(C(O)c5ccccc5)cc4)ncc3C#N)cnc12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.43
RPS6KB1 P23443 1/20 0.38
AR P10275 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
EGFR P00533 3/20 0.36
PRKDC P78527 3/20 0.36
KDR P35968 2/20 0.36
CDK1 P06493 1/20 0.36
IGF1R P08069 1/20 0.34
CDK2 P24941 1/20 0.34
IDH1 O75874 2/20 0.34
HDAC3 O15379 3/20 0.34
HDAC1 Q13547 3/20 0.34
HDAC2 Q92769 3/20 0.34
HDAC6 Q9UBN7 3/20 0.34
HDAC8 Q9BY41 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
SCHEMBL3546850 0.95 PLK1 (0.47) PLK1RPS6KB1ARALDH1A1HPGD
SCHEMBL2197926 0.94 PLK1 (0.37) PLK1RPS6KB1ALDH1A1HPGDSMN1; SMN2
SCHEMBL2197003 0.91 PLK1 (0.37) PLK1RPS6KB1ARALDH1A1HPGD
SCHEMBL19951503 0.91 PLK1 (0.37) PLK1RPS6KB1ARALDH1A1HPGD
SCHEMBL2196720 0.91 PLK1 (0.37) PLK1RPS6KB1ARALDH1A1HPGD
SCHEMBL3558617 0.90 PLK1 (0.39) PLK1RPS6KB1ARALDH1A1HPGD
SCHEMBL2197483 0.90 HDAC8 (0.41) PLK1RPS6KB1ARALDH1A1HPGD
SCHEMBL2196426 0.88 KDM4E (0.38) PLK1RPS6KB1ALDH1A1HPGDSMN1; SMN2
SCHEMBL4257883 0.88 ALDH1A1 (0.43) PLK1RPS6KB1ARALDH1A1HPGD
SCHEMBL3546619 0.88 PLK1 (0.39) PLK1RPS6KB1ARALDH1A1HPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PLK1 1/4885RPS6KB1 796/4885AR 2385/4885

“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.