SCHEMBL6793459

SCHEMBL6793459

NCCCn1nc2c(c1C(=O)O)CCc1cc(OC(=O)C(F)(F)F)c(-c3ccc(Cl)cc3)cc1-2

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.33
ARF6 P62330 1/20 0.32
PLK1 P53350 1/20 0.32
PDPK1 O15530 1/20 0.32
CDK2 P24941 1/20 0.32
RORC P51449 1/20 0.30
LTA4H P09960 1/20 0.30
KCNH2 Q12809 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
SCHEMBL6791786 0.92 PLK1 (0.32) PLK1PDPK1CDK2
SCHEMBL6794903 0.91 PTGIR (0.35) PLK1PDPK1CDK2RORC
SCHEMBL6794069 0.91 PLK1 (0.33) PLK1PDPK1CDK2
SCHEMBL6791714 0.91 BRAF (0.36) PLK1PDPK1CDK2
SCHEMBL6794227 0.90 PLK1 (0.34) PLK1PDPK1CDK2
SCHEMBL1655704 0.89 GABRA1 (0.32) PLK1PDPK1CDK2
SCHEMBL6794891 0.88 RORC (0.34) PLK1PDPK1CDK2RORC
SCHEMBL4267118 0.88 PLK1 (0.32) PLK1PDPK1CDK2RORC
SCHEMBL6792282 0.87 RORC (0.34) PLK1PDPK1CDK2RORC
SCHEMBL6792883 0.87 PLK1 (0.33) 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 PTGDR2 440/4885ARF6 2336/4885PLK1 101/4885

“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.