SCHEMBL6796772

SCHEMBL6796772

O=C(OC(=O)C(F)(F)F)c1c2c(nn1CCCN1CCNCC1)-c1ccncc1CC2

nearest known ligand 0.31

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31
HASPIN Q8TF76 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
FLT3 P36888 1/20 0.30
PLK1 P53350 1/20 0.30
PLK3 Q9H4B4 1/20 0.30
NEK6 Q9HC98 1/20 0.30
CDK4 P11802 1/20 0.30
CCNA2 P20248 1/20 0.30
CDK2 P24941 1/20 0.30
CCND3 P30281 1/20 0.30
CDK6 Q00534 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
SCHEMBL6791886 0.89 PLK1 (0.31) PLK1PLK3
Trifluoroacetic Acid SCHEMBL6796768 0.87 CCNC (0.32) CCNCCDK8HASPINMEN1ALDH1A1
SCHEMBL6787097 0.87 MCHR2 (0.33) ALDH1A1SMN1; SMN2PLK1PLK3
SCHEMBL4270469 0.86 PDPK1 (0.38) PLK1CDK2
SCHEMBL6793611 0.86
SCHEMBL6792623 0.85 ALDH1A1 (0.35) ALDH1A1CDK4CCNA2CDK2CCND3
SCHEMBL6793555 0.85 CDK2 (0.33) PLK1CCNA2CDK2
SCHEMBL6794291 0.85 NAMPT (0.34) CCNA2CDK2
SCHEMBL6793563 0.84
SCHEMBL6791171 0.84 PLK1 (0.37) PLK1PLK3

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 CCNC 291/4885CDK8 181/4885HASPIN 764/4885

“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.