SCHEMBL4094486

SCHEMBL4094486

O=C1N=C(Nc2cc(N(OC(=O)C(F)(F)F)S(=O)(=O)c3cccs3)ccc2Cl)SC1=Cc1ccc2ncccc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 3/20 0.37
PRKCD Q05655 3/20 0.37
CCNB1 P14635 2/20 0.37
MAPK1 P28482 2/20 0.37
AURKA O14965 1/20 0.37
CCNT1 O60563 1/20 0.37
CCNA2 P20248 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
CDK7 P50613 1/20 0.37
CDK9 P50750 1/20 0.37
CCNH P51946 1/20 0.37
MNAT1 P51948 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
AURKB Q96GD4 1/20 0.37
DYRK3 O43781 4/20 0.36
PIK3CD O00329 1/20 0.34

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
Trifluoroacetic Acid SCHEMBL4094481 0.82 CCR2 (0.38) CDK1PRKCDCCNB1MAPK1AURKA
Trifluoroacetic Acid SCHEMBL4094491 0.82 CCR2 (0.38) CDK1PRKCDCCNB1MAPK1AURKA
SCHEMBL4090037 0.81 CDK1 (0.45) CDK1PRKCDCCNB1MAPK1AURKA
SCHEMBL4089997 0.80 DYRK3 (0.39) CDK1PRKCDCCNB1MAPK1AURKA
SCHEMBL2992745 0.79 DYRK3 (0.41) CDK1PRKCDCCNB1MAPK1AURKA
SCHEMBL2992740 0.79 DYRK3 (0.41) CDK1PRKCDCCNB1MAPK1AURKA
SCHEMBL4095082 0.79 DYRK3 (0.42) CDK1PRKCDCCNB1MAPK1AURKA
SCHEMBL4093832 0.78 DYRK3 (0.41) CDK1PRKCDCCNB1MAPK1AURKA
SCHEMBL4089212 0.78 DYRK3 (0.39) CDK1PRKCDCCNB1MAPK1AURKA
SCHEMBL4090197 0.78 DYRK3 (0.40) CDK1PRKCDCCNB1MAPK1AURKA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203692-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-08-13 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-20090203692-A1 NOVEL CHEMICAL COMPOUNDS HIPK3, HIPK1, HIPK4 CDK1 2193/4885PRKCD 2191/4885CCNB1 3817/4885

“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.