SCHEMBL6793304

SCHEMBL6793304

CCCn1nc2c(c1C(=O)O)CCc1cnccc1-2

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 5/20 0.37
AAK1 Q2M2I8 3/20 0.33
AURKA O14965 2/20 0.33
CCNA2 P20248 2/20 0.33
CDK2 P24941 2/20 0.33
CCNA1 P78396 2/20 0.33
PLK1 P53350 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32

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
SCHEMBL6793189 0.89 CDK2 (0.35) AAK1AURKACCNA2CDK2CCNA1
SCHEMBL1655455 0.88 CDK2 (0.36) KDM4CAURKACCNA2CDK2CCNA1
Hydrochloric Acid SCHEMBL4257712 0.87 CDK2 (0.36) KDM4CAURKACCNA2CDK2CCNA1
SCHEMBL1659385 0.87 CDK2 (0.34) AAK1AURKACCNA2CDK2CCNA1
Hydrochloric Acid SCHEMBL1658167 0.85 CDK2 (0.42) KDM4CAURKACCNA2CDK2CCNA1
SCHEMBL6793396 0.85 NAMPT (0.36) AURKACCNA2CDK2CCNA1
Hydrochloric Acid SCHEMBL4263501 0.85 CYP3A4 (0.34) AURKACCNA2CDK2CCNA1PLK1
Hydrochloric Acid SCHEMBL1658063 0.84 CDK2 (0.40) KDM4CAURKACCNA2CDK2CCNA1
Hydrochloric Acid SCHEMBL6795179 0.84 NAMPT (0.33) AAK1AURKACCNA2CDK2CCNA1
SCHEMBL6791815 0.84 NAMPT (0.32) AURKACCNA2CDK2CCNA1PLK1

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 KDM4C 3390/4885AAK1 335/4885AURKA 341/4885

“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.