SCHEMBL2199282

SCHEMBL2199282

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 7/20 0.39
PLK1 P53350 4/20 0.39
CDK2 P24941 4/20 0.34
JUN P05412 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
IDH1 O75874 2/20 0.33
CCNT1 O60563 3/20 0.32
CDK9 P50750 3/20 0.32
CDK1 P06493 2/20 0.32
CCNB1 P14635 2/20 0.32
CCNA2 P20248 2/20 0.32
CDK7 P50613 2/20 0.32
CCNH P51946 2/20 0.32
TYRO3 Q06418 2/20 0.31
MERTK Q12866 2/20 0.31
ACACB O00763 1/20 0.30

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
SCHEMBL2195826 0.93 IGF1R (0.38) IGF1RPLK1CDK2JUNMAPK8
SCHEMBL2194919 0.92 PLK1 (0.38) IGF1RPLK1CDK2JUNMAPK8
SCHEMBL2198726 0.91 IGF1R (0.37) IGF1RPLK1CDK2JUNMAPK8
SCHEMBL2226580 0.90 PLK1 (0.38) IGF1RPLK1CDK2JUNMAPK8
SCHEMBL5065506 0.90 PLK1 (0.38) IGF1RPLK1CDK2IDH1CCNT1
SCHEMBL2197872 0.90 PLK1 (0.38) IGF1RPLK1CDK2IDH1CCNT1
SCHEMBL2196907 0.89 IGF1R (0.38) IGF1RPLK1CDK2JUNMAPK8
SCHEMBL2199046 0.89 IGF1R (0.40) IGF1RPLK1CDK2JUNMAPK8
SCHEMBL2228345 0.88 IGF1R (0.39) IGF1RPLK1CDK2JUNMAPK8
SCHEMBL3559021 0.88 IGF1R (0.39) IGF1RPLK1CDK2JUNMAPK8

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 812/4885PLK1 1/4885CDK2 23/4885

“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.