SCHEMBL6794716

SCHEMBL6794716

CS(=O)(=O)c1cccc(-c2cc3c(cn2)CCc2c-3nn(CCCN)c2C(=O)OC(=O)C(F)(F)F)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.34
KCNH2 Q12809 3/20 0.33
CDK2 P24941 2/20 0.33
PDPK1 O15530 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
AURKA O14965 1/20 0.32
CCNA2 P20248 1/20 0.32
CCNA1 P78396 1/20 0.32
ATR Q13535 2/20 0.32
PRKDC P78527 1/20 0.32
ATM Q13315 1/20 0.32
PIK3CA P42336 1/20 0.31
NTRK1 P04629 1/20 0.31
KLKB1 P03952 1/20 0.31
DPP4 P27487 2/20 0.31
DPP8 Q6V1X1 1/20 0.31

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 SCHEMBL6794711 0.89 NPC1 (0.39) PLK1KCNH2CDK2PDPK1NPC1
SCHEMBL4267658 0.88 CDK2 (0.37) PLK1CDK2PDPK1AURKACCNA2
SCHEMBL6794533 0.88 CDK2 (0.37) PLK1CDK2PDPK1CCNA2CCNA1
SCHEMBL6793246 0.86 KCNK3 (0.36) PLK1CDK2PDPK1KCNK3
SCHEMBL4264451 0.86 PLK1 (0.35) PLK1CDK2PDPK1
SCHEMBL4266552 0.85 CDK2 (0.37) PLK1CDK2PDPK1CCNA2CCNA1
SCHEMBL4444669 0.85 CDK2 (0.38) PLK1CDK2PDPK1AURKACCNA2
SCHEMBL1655237 0.85 PLK1 (0.36) PLK1CDK2PDPK1NPC1RAB9A
SCHEMBL4260282 0.85 PLK1 (0.35) PLK1KCNH2CDK2PDPK1AURKA
SCHEMBL1658126 0.85 PLK1 (0.34) PLK1CDK2PDPK1

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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 US claimed

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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 PLK1 101/4885KCNH2 1118/4885CDK2 29/4885

“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.