SCHEMBL13756800

SCHEMBL13756800

CS(=O)(=O)c1ccc(N2CCc3cnc(Nc4ccc(F)c(C(F)(F)F)c4)nc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 8/20 0.46
▸ KDR P35968 6/20 0.46
▸ BRD4 O60885 3/20 0.45
▸ JAK2 O60674 1/20 0.45
▸ CDK1 P06493 7/20 0.44
▸ CHEK1 O14757 4/20 0.43
▸ FLT3 P36888 4/20 0.43
▸ KIT P10721 3/20 0.43
▸ AURKA O14965 1/20 0.43
▸ RPS6KA5 O75582 1/20 0.43
▸ RPS6KA4 O75676 1/20 0.43
▸ RPS6KB1 P23443 1/20 0.43
▸ RPS6KA3 P51812 1/20 0.43
▸ RPS6KA2 Q15349 1/20 0.43
▸ RPS6KA1 Q15418 1/20 0.43
▸ IRAK4 Q9NWZ3 1/20 0.43
▸ RPS6KB2 Q9UBS0 1/20 0.43
▸ RPS6KA6 Q9UK32 1/20 0.43
▸ CCNB1 P14635 2/20 0.42
▸ CDK4 P11802 2/20 0.42

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
SCHEMBL13756756 0.85 PTGS2 (0.48) CDK2KDRBRD4JAK2CDK1
SCHEMBL13756693 0.81 PTGS2 (0.47) CDK2KDRBRD4JAK2CDK1
SCHEMBL13756697 0.80 CSF1R (0.41) CDK2BRD4JAK2CDK4
SCHEMBL13756752 0.80 BRD4 (0.49) BRD4STK17ASTK17B
SCHEMBL13756768 0.80 NUAK1 (0.44) CDK2BRD4JAK2CDK1AURKA
SCHEMBL13756691 0.79 AURKA (0.54) BRD4JAK2FLT3AURKACDK4
SCHEMBL13756753 0.79 FGFR4 (0.50) KDRJAK2FLT3CDK5CDK5R1
SCHEMBL13756834 0.79 CDK2 (0.43) CDK2JAK2CDK1AURKACCNB1
SCHEMBL13756755 0.79 PTK2 (0.48) CDK2KDRBRD4CDK5CDK5R1
SCHEMBL13756846 0.79 CDK2 (0.44) CDK2JAK2CDK1FLT3AURKA

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-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 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-20090203688-A1 HETEROCYCLIC COMPOUNDS ABL1, JAK2, JAK1 CDK2 77/4885KDR 1103/4885BRD4 964/4885

“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.

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