SCHEMBL2197003

SCHEMBL2197003

Cc1cccn2c(-c3nc(NC(C)c4ccc([C@H](O)c5ccccn5)cc4)ncc3C#N)cnc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.37
ALDH1A1 P00352 3/20 0.34
HPGD P15428 3/20 0.34
IGF1R P08069 3/20 0.33
CDK2 P24941 1/20 0.33
RPS6KB1 P23443 1/20 0.33
KDM4E B2RXH2 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CDK1 P06493 1/20 0.32
KDR P35968 1/20 0.32
GAA P10253 4/20 0.31
MAPT P10636 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAP3K8 P41279 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
AR P10275 1/20 0.31
EGFR P00533 1/20 0.31
PRKDC P78527 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
SCHEMBL19951503 1.00 PLK1 (0.37) PLK1ALDH1A1HPGDIGF1RCDK2
SCHEMBL2196720 1.00 PLK1 (0.37) PLK1ALDH1A1HPGDIGF1RCDK2
SCHEMBL2199169 0.91 PLK1 (0.43) PLK1ALDH1A1HPGDIGF1RCDK2
SCHEMBL2197926 0.90 PLK1 (0.37) PLK1ALDH1A1HPGDIGF1RCDK2
SCHEMBL3546850 0.87 PLK1 (0.47) PLK1ALDH1A1HPGDIGF1RCDK2
SCHEMBL3558617 0.86 PLK1 (0.39) PLK1ALDH1A1HPGDIGF1RCDK2
SCHEMBL2196426 0.86 KDM4E (0.38) PLK1ALDH1A1HPGDIGF1RCDK2
SCHEMBL3546619 0.85 PLK1 (0.39) PLK1ALDH1A1HPGDIGF1RCDK2
SCHEMBL3550499 0.85 PLK1 (0.39) PLK1RPS6KB1AR
SCHEMBL4257883 0.85 ALDH1A1 (0.43) PLK1ALDH1A1HPGDIGF1RCDK2

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-20080305081-A1 Novel aminopyrimidine derivatives as PLK1 inhibitors BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-12-11 US claimed
US-7977336-B2 Aminopyrimidine derivatives as PLK1 inhibitors BANYU PHARMACEUTICAL CO. LTD (JP) 2011-07-12 US 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 1/4885ALDH1A1 3451/4885HPGD 3831/4885

“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.