SCHEMBL2196907

SCHEMBL2196907

C[C@H](Nc1ncc(C#N)c(-c2cnc3c(Cl)cccn23)n1)c1ccc(C(O)C2CCN(CCS(C)(=O)=O)CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 6/20 0.38
KCNH2 Q12809 1/20 0.38
PLK1 P53350 3/20 0.36
IDH1 O75874 2/20 0.35
CDK2 P24941 3/20 0.33
MAPK9 P45984 3/20 0.33
MAPK8 P45983 2/20 0.33
JUN P05412 1/20 0.33
TYRO3 Q06418 1/20 0.31
MERTK Q12866 1/20 0.31
CSNK2A2 P19784 1/20 0.31
CSNK2A1 P68400 1/20 0.31
CCNT1 O60563 1/20 0.31
CDK1 P06493 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
CDK7 P50613 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
SCHEMBL2194919 0.91 PLK1 (0.38) IGF1RKCNH2PLK1IDH1CDK2
SCHEMBL2199282 0.89 IGF1R (0.39) IGF1RPLK1IDH1CDK2MAPK9
SCHEMBL2195826 0.86 IGF1R (0.38) IGF1RKCNH2PLK1IDH1CDK2
SCHEMBL2195522 0.85 PLK1 (0.39) IGF1RPLK1IDH1CDK2MAPK9
SCHEMBL2198726 0.85 IGF1R (0.37) IGF1RKCNH2PLK1IDH1CDK2
SCHEMBL2199046 0.84 IGF1R (0.40) IGF1RKCNH2PLK1CDK2MAPK9
SCHEMBL2227194 0.83 TYRO3 (0.39) IGF1RPLK1IDH1CDK2MAPK9
SCHEMBL2226580 0.83 PLK1 (0.38) IGF1RPLK1IDH1CDK2MAPK9
SCHEMBL2195412 0.83 IGF1R (0.36) IGF1RPLK1IDH1CDK2TYRO3
SCHEMBL2196904 0.82 IGF1R (0.36) IGF1RKCNH2PLK1IDH1CDK2

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 IGF1R 812/4885KCNH2 1742/4885PLK1 1/4885

“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.