SCHEMBL2199159

SCHEMBL2199159

CCc1cccn2c(-c3nc(N[C@@H](C)c4ccc(C(O)CN5CCN(C)CC5)cc4)ncc3C#N)cnc12

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 3/20 0.38
GAA P10253 1/20 0.35
IDH1 O75874 8/20 0.35
IGF1R P08069 3/20 0.34
KCNJ1 P48048 2/20 0.34
CDK2 P24941 1/20 0.33
CDK1 P06493 1/20 0.33
KDR P35968 1/20 0.33
IDH2 P48735 1/20 0.32
FLT3 P36888 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL2226580 0.89 PLK1 (0.38) PLK1IDH1IGF1RCDK2CDK1
SCHEMBL3550470 0.88 IDH1 (0.41) PLK1IDH1IGF1RCDK2CDK1
SCHEMBL2195522 0.85 PLK1 (0.39) PLK1IDH1IGF1RCDK2CDK1
SCHEMBL2198081 0.85 PLK1 (0.38) PLK1IDH1IGF1RCDK2FLT3
SCHEMBL2227194 0.85 TYRO3 (0.39) PLK1IDH1IGF1RCDK2
SCHEMBL2199778 0.85 PLK1 (0.38) PLK1IDH1IGF1RKCNJ1CDK2
SCHEMBL2197910 0.84 PLK1 (0.38) PLK1GAAIDH1IGF1RCDK2
SCHEMBL2199108 0.84 PLK1 (0.34) PLK1IDH1IGF1RCDK2CDK1
SCHEMBL4272407 0.84 PLK1 (0.34) PLK1IDH1IGF1RCDK2CDK1
SCHEMBL2196563 0.84 PLK1 (0.34) PLK1IDH1IGF1RCDK2CDK1

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 1/4885GAA 4465/4885IDH1 519/4885

“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.