SCHEMBL2197982

SCHEMBL2197982

C[C@H](Nc1ncc(Cl)c(-c2cnc3c(C4CC4)cccn23)n1)c1ccc([C@H](O)CNC(C)(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 4/20 0.37
JUN P05412 1/20 0.37
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
IGF1R P08069 16/20 0.36
KCNH2 Q12809 6/20 0.34
TYRO3 Q06418 2/20 0.34
MERTK Q12866 2/20 0.34
CDK1 P06493 1/20 0.32
CDK8 P49336 1/20 0.32
CDK7 P50613 1/20 0.32
CDK9 P50750 1/20 0.32

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
SCHEMBL2200622 0.92 TYRO3 (0.34) KCNH2TYRO3MERTKCDK9
SCHEMBL2196440 0.91 NTRK1 (0.35) TYRO3MERTK
SCHEMBL2198979 0.90 IGF1R (0.38) CDK2JUNMAPK8MAPK9IGF1R
SCHEMBL2200780 0.89 PLK1 (0.36) CDK2IGF1RKCNH2TYRO3MERTK
SCHEMBL2195962 0.86 FLT3 (0.44) CDK2JUNMAPK8MAPK9
SCHEMBL2198230 0.83 ADRB2 (0.35) IGF1R
SCHEMBL2195698 0.83 IGF1R (0.36) CDK2IGF1RKCNH2
SCHEMBL2198357 0.81 IGF1R (0.35) CDK2IGF1RCDK1
SCHEMBL2197154 0.81 IGF1R (0.35) CDK2IGF1RCDK1
SCHEMBL4258682 0.81 IGF1R (0.35) CDK2IGF1RCDK1

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 CDK2 23/4885JUN 3772/4885MAPK8 771/4885

“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.