SCHEMBL4084121

SCHEMBL4084121

CN1CCN(CCCN(C(=O)C(F)(F)F)c2ccc(Cl)c(NC3=NC(=O)C(=Cc4ccc5ncccc5c4)S3)c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 4/20 0.38
DYRK3 O43781 4/20 0.38
ABL1 P00519 2/20 0.36
SRC P12931 2/20 0.36
CDK1 P06493 2/20 0.35
CCNB1 P14635 2/20 0.35
PRKCD Q05655 2/20 0.35
AURKA O14965 1/20 0.35
CCNT1 O60563 1/20 0.35
CCNA2 P20248 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
MAPK1 P28482 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
CDK7 P50613 1/20 0.35
CDK9 P50750 1/20 0.35
CCNH P51946 1/20 0.35
MNAT1 P51948 1/20 0.35
CDK5 Q00535 1/20 0.35

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
SCHEMBL4083714 0.91 DYRK3 (0.39) ENPP2DYRK3CDK1CCNB1PRKCD
SCHEMBL4093542 0.90 DYRK3 (0.39) ENPP2DYRK3CDK1CCNB1PRKCD
SCHEMBL4090197 0.89 DYRK3 (0.40) DYRK3CDK1CCNB1PRKCDAURKA
SCHEMBL4099201 0.87 DYRK3 (0.40) ENPP2DYRK3CDK1CCNB1PRKCD
SCHEMBL4093832 0.86 DYRK3 (0.41) ENPP2DYRK3CDK1CCNB1PRKCD
SCHEMBL4089212 0.86 DYRK3 (0.39) DYRK3CDK1CCNB1PRKCDAURKA
SCHEMBL4089202 0.84 DYRK3 (0.40) ENPP2DYRK3CDK1CCNB1PRKCD
SCHEMBL4090037 0.84 CDK1 (0.45) DYRK3CDK1CCNB1PRKCDAURKA
SCHEMBL4097891 0.84 DYRK3 (0.38) ENPP2DYRK3ABL1SRCCDK1
SCHEMBL4083687 0.84 DYRK3 (0.41) ENPP2DYRK3CDK1CCNB1PRKCD

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-20090203692-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-08-13 US disclosed
EP-1885362-A2 NOVEL CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-02-13 EP disclosed
WO-2006127458-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-30 WO 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-20090203692-A1 NOVEL CHEMICAL COMPOUNDS HIPK3, HIPK1, HIPK4 ENPP2 954/4885DYRK3 1471/4885ABL1 3168/4885

“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.