SCHEMBL4444669

SCHEMBL4444669

NCCCn1nc2c(c1C(=O)OC(=O)C(F)(F)F)CCc1cnc(-c3ccc4ccccc4c3)cc1-2

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 5/20 0.38
PDPK1 O15530 1/20 0.38
PLK1 P53350 7/20 0.35
SRC P12931 2/20 0.35
MAPKAPK2 P49137 2/20 0.33
CCNA2 P20248 4/20 0.32
CCNA1 P78396 4/20 0.32
AURKA O14965 2/20 0.32
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31
PRKDC P78527 1/20 0.31
PLK3 Q9H4B4 3/20 0.31
PLK2 Q9NYY3 3/20 0.31
TTK P33981 1/20 0.31
CAMK2D Q13557 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
SCHEMBL4267125 0.91 MAPKAPK2 (0.39) CDK2PDPK1PLK1MAPKAPK2CCNA2
SCHEMBL4264451 0.90 PLK1 (0.35) CDK2PDPK1PLK1MAPKAPK2
SCHEMBL4260282 0.89 PLK1 (0.35) CDK2PDPK1PLK1MAPKAPK2CCNA2
SCHEMBL6793952 0.88 MAPKAPK2 (0.40) CDK2PDPK1PLK1MAPKAPK2CCNA2
Trifluoroacetic Acid SCHEMBL4444665 0.88 CDK2 (0.41) CDK2PDPK1PLK1SRCMAPKAPK2
SCHEMBL4267658 0.88 CDK2 (0.37) CDK2PDPK1PLK1MAPKAPK2CCNA2
SCHEMBL6794533 0.88 CDK2 (0.37) CDK2PDPK1PLK1CCNA2CCNA1
SCHEMBL1655237 0.88 PLK1 (0.36) CDK2PDPK1PLK1MAPKAPK2CCNA2
SCHEMBL1658126 0.87 PLK1 (0.34) CDK2PDPK1PLK1MAPKAPK2
SCHEMBL6793064 0.86 GABRP (0.36) CDK2PDPK1PLK1MAPKAPK2

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-20090181468-A1 Methods and compositions for treating cellular proliferative diseases YAFFE MICHAEL B 2009-07-16 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 CDK2 29/4885PDPK1 87/4885PLK1 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.