SCHEMBL2198070

SCHEMBL2198070

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.38
IDH1 O75874 3/20 0.35
IGF1R P08069 5/20 0.34
CDK2 P24941 5/20 0.33
JUN P05412 2/20 0.32
MAPK8 P45983 2/20 0.32
MAPK9 P45984 2/20 0.32
MAPK10 P53779 1/20 0.32
CDK7 P50613 2/20 0.32
CCNH P51946 2/20 0.32
MNAT1 P51948 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.31
CCNT1 O60563 1/20 0.31
CCNK O75909 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK9 P50750 1/20 0.31
CDK12 Q9NYV4 1/20 0.31
RPS6KB1 P23443 1/20 0.30
VNN1 O95497 2/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL2226580 0.92 PLK1 (0.38) PLK1IDH1IGF1RCDK2JUN
SCHEMBL2197910 0.92 PLK1 (0.38) PLK1IDH1IGF1RCDK2JUN
SCHEMBL2197813 0.92 CDK7 (0.39) PLK1IDH1IGF1RCDK2CDK7
SCHEMBL2227194 0.91 TYRO3 (0.39) PLK1IDH1IGF1RCDK2JUN
SCHEMBL2195522 0.90 PLK1 (0.39) PLK1IDH1IGF1RCDK2JUN
SCHEMBL2198726 0.90 IGF1R (0.37) PLK1IDH1IGF1RCDK2JUN
SCHEMBL2198896 0.89 PLK1 (0.38) PLK1IDH1IGF1RCDK2JUN
SCHEMBL2197788 0.89 PLK1 (0.36) PLK1IDH1IGF1RCDK2JUN
SCHEMBL2195412 0.87 IGF1R (0.36) PLK1IDH1IGF1RCDK2
SCHEMBL19951509 0.87 PLK1 (0.39) PLK1IDH1IGF1RCDK2JUN

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 519/4885IGF1R 812/4885

“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.