SCHEMBL2199046

SCHEMBL2199046

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 11/20 0.40
CDK2 P24941 6/20 0.36
JUN P05412 2/20 0.36
MAPK8 P45983 2/20 0.36
MAPK9 P45984 2/20 0.36
PLK1 P53350 3/20 0.35
MAPK10 P53779 1/20 0.34
KCNH2 Q12809 4/20 0.32
CDK1 P06493 1/20 0.32
CDK8 P49336 1/20 0.32
CDK7 P50613 1/20 0.32
CDK9 P50750 1/20 0.32
LRRK2 Q5S007 2/20 0.32
P2RX3 P56373 1/20 0.32
IRAK4 Q9NWZ3 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
SCHEMBL2199282 0.89 IGF1R (0.39) IGF1RCDK2JUNMAPK8MAPK9
SCHEMBL3555421 0.88 IGF1R (0.48) IGF1RCDK2PLK1KCNH2CDK1
SCHEMBL2195826 0.87 IGF1R (0.38) IGF1RCDK2JUNMAPK8MAPK9
SCHEMBL2198726 0.86 IGF1R (0.37) IGF1RCDK2JUNMAPK8MAPK9
SCHEMBL2194919 0.85 PLK1 (0.38) IGF1RCDK2JUNMAPK8MAPK9
SCHEMBL2196907 0.84 IGF1R (0.38) IGF1RCDK2JUNMAPK8MAPK9
SCHEMBL3554402 0.84 IGF1R (0.48) IGF1RCDK2KCNH2CDK1CDK7
SCHEMBL2228345 0.83 IGF1R (0.39) IGF1RCDK2JUNMAPK8MAPK9
SCHEMBL3553431 0.82 PLK1 (0.37) IGF1RCDK2JUNMAPK8MAPK9
SCHEMBL2197910 0.81 PLK1 (0.38) IGF1RCDK2JUNMAPK8MAPK9

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 812/4885CDK2 23/4885JUN 3772/4885

“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.