SCHEMBL6793386

SCHEMBL6793386

CC(C)Cc1cc2c(cc1OC(=O)C(F)(F)F)CCc1c-2nn(CCCN)c1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.32
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
PDPK1 O15530 1/20 0.30
CDK2 P24941 1/20 0.30

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
SCHEMBL1655960 0.88 PLK1 (0.31) PLK1PDPK1CDK2
SCHEMBL6787810 0.86 CDK2 (0.34) PLK1PDPK1CDK2
Trifluoroacetic Acid SCHEMBL6793385 0.86 S1PR1 (0.32) PLK1S1PR1S1PR3PDPK1CDK2
SCHEMBL6788054 0.85 PLK1 (0.31) PLK1
SCHEMBL4267118 0.83 PLK1 (0.32) PLK1PDPK1CDK2
SCHEMBL6794069 0.82 PLK1 (0.33) PLK1PDPK1CDK2
SCHEMBL6791714 0.82 BRAF (0.36) PLK1PDPK1CDK2
SCHEMBL6793459 0.81 PTGDR2 (0.33) PLK1PDPK1CDK2
SCHEMBL6791786 0.81 PLK1 (0.32) PLK1PDPK1CDK2
SCHEMBL6794227 0.81 PLK1 (0.34) PLK1PDPK1CDK2

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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 US claimed
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 PLK1 101/4885S1PR1 3083/4885S1PR3 2209/4885

“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.