SCHEMBL2201057

SCHEMBL2201057

CCc1cccn2c(-c3nc(N[C@@H](C)c4ccc(C(C)(O)C5CCNCC5)cc4)ncc3C#N)cnc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 3/20 0.36
IDH1 O75874 1/20 0.33
CDK1 P06493 3/20 0.33
KDR P35968 2/20 0.33
IGF1R P08069 3/20 0.33
CDK2 P24941 4/20 0.32
MAPK13 O15264 5/20 0.31
MAPK12 P53778 5/20 0.31
MAPK11 Q15759 5/20 0.31
MAPK14 Q16539 5/20 0.31
CDK7 P50613 2/20 0.31
CCNH P51946 2/20 0.31
MNAT1 P51948 2/20 0.31
CCNT1 O60563 1/20 0.31
CDK4 P11802 1/20 0.31
CCNB1 P14635 1/20 0.31
CCND1 P24385 1/20 0.31
CCNE1 P24864 1/20 0.31
CCND3 P30281 1/20 0.31
CDK9 P50750 1/20 0.31

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
SCHEMBL2198070 0.87 PLK1 (0.38) PLK1IDH1IGF1RCDK2CDK7
SCHEMBL2200541 0.85 IDH1 (0.37) PLK1IDH1IGF1RCDK2MAPK9
SCHEMBL2200545 0.84 PLK1 (0.36) PLK1IDH1CDK1KDRIGF1R
SCHEMBL3559102 0.82 PLK1 (0.37) PLK1IDH1IGF1RMAPK13MAPK12
SCHEMBL2197813 0.82 CDK7 (0.39) PLK1IDH1IGF1RCDK2CDK7
SCHEMBL2226580 0.81 PLK1 (0.38) PLK1IDH1CDK1IGF1RCDK2
SCHEMBL2197910 0.81 PLK1 (0.38) PLK1IDH1IGF1RCDK2MAPK9
SCHEMBL2197788 0.81 PLK1 (0.36) PLK1IDH1CDK1IGF1RCDK2
SCHEMBL2199108 0.80 PLK1 (0.34) PLK1IDH1CDK1KDRIGF1R
SCHEMBL4272407 0.80 PLK1 (0.34) PLK1IDH1CDK1KDRIGF1R

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 1/4885IDH1 519/4885CDK1 3/4885

“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.