SCHEMBL6791692

SCHEMBL6791692

COC(=O)c1nn(C)c2c1CCc1cnccc1-2

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 19/20 0.45
CCNA2 P20248 18/20 0.45
CCNA1 P78396 15/20 0.45
CDK4 P11802 6/20 0.45
CCND3 P30281 6/20 0.45
CDK6 Q00534 6/20 0.45
AURKA O14965 11/20 0.44
PLK1 P53350 8/20 0.43
TTK P33981 3/20 0.41
PLK3 Q9H4B4 2/20 0.41
PLK2 Q9NYY3 2/20 0.41

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
SCHEMBL6795982 0.86 CDK2 (0.45) CDK2CCNA2CCNA1CDK4CCND3
SCHEMBL32691354 0.84 MAPT (0.49) CDK2CCNA2CCNA1CDK4CCND3
SCHEMBL4956391 0.82 CCNA2 (0.47) CDK2CCNA2CCNA1
SCHEMBL6794173 0.81 ROCK2 (0.38) CDK2CCNA2CCNA1CDK4CCND3
SCHEMBL2187212 0.77 GRM5 (0.59) CDK2CCNA2CCNA1
SCHEMBL2550017 0.76 CDK2 (0.53) CDK2CCNA2CCNA1CDK4CCND3
SCHEMBL6792371 0.74 ROCK2 (0.35) CDK2CCNA2CCNA1CDK4CCND3
SCHEMBL12240664 0.71 CCNA2 (0.59) CDK2CCNA2CCNA1CDK4CCND3
SCHEMBL6790309 0.71 CCNA2 (0.43) CDK2CCNA2CCNA1CDK4CCND3
SCHEMBL3588427 0.71 KDM4E (0.40) CDK2CCNA2CCNA1PLK1TTK

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 CDK2 29/4885CCNA2 270/4885CCNA1 527/4885

“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.