SCHEMBL10249318

SCHEMBL10249318

CCCS(=O)(=O)Nc1ccc(-c2c(N)c3ccc(OCCF)cc3n2CC)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 2/20 0.40
DAPK3 O43293 2/20 0.40
JAK2 O60674 2/20 0.40
CDK1 P06493 2/20 0.40
RPS6KB1 P23443 2/20 0.40
CDK2 P24941 2/20 0.40
TYK2 P29597 2/20 0.40
CLK2 P49760 2/20 0.40
JAK3 P52333 2/20 0.40
LIMK1 P53667 2/20 0.40
CDK5 Q00535 2/20 0.40
MAP4K2 Q12851 2/20 0.40
DYRK1A Q13627 2/20 0.40
PKN2 Q16513 2/20 0.40
HIPK4 Q8NE63 2/20 0.40
AURKB Q96GD4 2/20 0.40
CLK4 Q9HAZ1 2/20 0.40
STK17A Q9UEE5 2/20 0.40
AKT3 Q9Y243 2/20 0.40
DCLK1 O15075 1/20 0.40

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
SCHEMBL10097376 0.95 AR (0.41) PLK4DAPK3JAK2CDK1RPS6KB1
SCHEMBL10252757 0.93 PLK4 (0.37) PLK4DAPK3JAK2CDK1RPS6KB1
SCHEMBL10249433 0.92 SGK1 (0.36) PLK4DAPK3JAK2CDK1RPS6KB1
SCHEMBL10252484 0.91 PLK4 (0.40) PLK4DAPK3JAK2CDK1RPS6KB1
SCHEMBL10249405 0.90 NPC1 (0.42) PLK4DAPK3JAK2CDK1CDK2
SCHEMBL13152362 0.88 GRIK2 (0.43) PLK4DAPK3JAK2CDK1RPS6KB1
SCHEMBL13151765 0.87 BRD4 (0.35) PGRRIPK2ACVR1NOD2NPC1
SCHEMBL10095722 0.86 PGR (0.41) PLK4DAPK3JAK2CDK1RPS6KB1
SCHEMBL13151753 0.86 KIF11 (0.41) PLK4DAPK3JAK2CDK1RPS6KB1
SCHEMBL13152374 0.86 PLK4 (0.40) PLK4DAPK3JAK2CDK1RPS6KB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
WO-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 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-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS PLK4 4295/4885DAPK3 3484/4885JAK2 2860/4885

“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.