SCHEMBL6792816

SCHEMBL6792816

Cn1nc(C(N)=O)c2c1-c1ccc(O)cc1CC2

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 19/20 0.55
CDK2 P24941 19/20 0.55
CCNA1 P78396 17/20 0.55
CYP2C9 P11712 1/20 0.50
HCAR2 Q8TDS4 1/20 0.50
CDK4 P11802 3/20 0.48
CCND3 P30281 3/20 0.48
CDK6 Q00534 3/20 0.48
AURKA O14965 12/20 0.47
PLK1 P53350 11/20 0.47
PLK3 Q9H4B4 5/20 0.47
PLK2 Q9NYY3 5/20 0.47
TTK P33981 2/20 0.47

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
SCHEMBL6792867 0.88 HCAR2 (0.56) CCNA2CDK2CCNA1CYP2C9HCAR2
SCHEMBL23889148 0.84 CCNA2 (0.57) CCNA2CDK2CCNA1CYP2C9CDK4
SCHEMBL6793613 0.82 CCNA2 (0.52) CCNA2CDK2CCNA1CYP2C9HCAR2
SCHEMBL6791596 0.81 CCNA2 (0.58) CCNA2CDK2CCNA1AURKA
SCHEMBL6793335 0.80 HCAR2 (0.49) CCNA2CDK2CCNA1CYP2C9HCAR2
SCHEMBL6793988 0.79 CCNA2 (0.62) CCNA2CDK2CCNA1AURKA
SCHEMBL6792714 0.73 HCAR2 (0.55) CYP2C9HCAR2
SCHEMBL20647019 0.72 MEN1 (0.56) CCNA2CDK2CCNA1CYP2C9AURKA
SCHEMBL5225911 0.71 CCNA2 (1.00) CCNA2CDK2CCNA1
SCHEMBL4158641 0.71 CCNA2 (0.85) CCNA2CDK2CCNA1CDK4CCND3

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 CCNA2 270/4885CDK2 29/4885CCNA1 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.