SCHEMBL6793246

SCHEMBL6793246

N#Cc1cccc(-c2cc3c(cn2)CCc2c-3nn(CCCN)c2C(=O)OC(=O)C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 18/20 0.36
PDPK1 O15530 1/20 0.34
CDK2 P24941 1/20 0.34
PLK1 P53350 1/20 0.33

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 SCHEMBL6793243 0.89 PDPK1 (0.36) KCNK3PDPK1CDK2
SCHEMBL6794533 0.89 CDK2 (0.37) KCNK3PDPK1CDK2PLK1
SCHEMBL4267658 0.87 CDK2 (0.37) KCNK3PDPK1CDK2PLK1
SCHEMBL4264451 0.86 PLK1 (0.35) PDPK1CDK2PLK1
SCHEMBL4266552 0.86 CDK2 (0.37) PDPK1CDK2PLK1
SCHEMBL6794716 0.86 PLK1 (0.34) KCNK3PDPK1CDK2PLK1
SCHEMBL4444669 0.86 CDK2 (0.38) PDPK1CDK2PLK1
SCHEMBL4260282 0.85 PLK1 (0.35) KCNK3PDPK1CDK2PLK1
SCHEMBL1658126 0.85 PLK1 (0.34) PDPK1CDK2PLK1
SCHEMBL1655237 0.84 PLK1 (0.36) PDPK1CDK2PLK1

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 KCNK3 512/4885PDPK1 87/4885CDK2 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.