SCHEMBL6792867

SCHEMBL6792867

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

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.56
CYP2C9 P11712 2/20 0.56
CCNA2 P20248 9/20 0.47
CDK2 P24941 9/20 0.47
CCNA1 P78396 7/20 0.47
AURKA O14965 4/20 0.47
PLK1 P53350 4/20 0.47
PTAFR P25105 1/20 0.41
AKR1B1 P15121 1/20 0.39
CDK4 P11802 4/20 0.39
CCND3 P30281 4/20 0.39
CDK6 Q00534 4/20 0.39
TTK P33981 2/20 0.39
PLK3 Q9H4B4 1/20 0.39
PLK2 Q9NYY3 1/20 0.39
MIF P14174 1/20 0.39
MAOB P27338 1/20 0.39
CYP2C8 P10632 1/20 0.38
HSD17B1 P14061 1/20 0.38

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
SCHEMBL6792816 0.88 CCNA2 (0.55) HCAR2CYP2C9CCNA2CDK2CCNA1
SCHEMBL20647019 0.84 MEN1 (0.56) CYP2C9CCNA2CDK2CCNA1AURKA
SCHEMBL6793613 0.83 CCNA2 (0.52) HCAR2CYP2C9CCNA2CDK2CCNA1
SCHEMBL2187536 0.82 CDK2 (0.56) HCAR2CYP2C9CCNA2CDK2CCNA1
SCHEMBL6792714 0.79 HCAR2 (0.55) HCAR2CYP2C9PTAFRAKR1B1MIF
SCHEMBL2550017 0.76 CDK2 (0.53) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL5258632 0.76 PTGS2 (0.52) CCNA2CDK2CCNA1AURKA
SCHEMBL27122942 0.75 CA12 (0.44) HCAR2CYP2C9CCNA2CDK2CCNA1
SCHEMBL14349874 0.73 HCAR2 (1.00) HCAR2CYP2C9CYP2C8
SCHEMBL6793335 0.73 HCAR2 (0.49) HCAR2CYP2C9CCNA2CDK2CCNA1

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 HCAR2 1767/4885CYP2C9 1505/4885CCNA2 270/4885

“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.