SCHEMBL6792371

SCHEMBL6792371

COC(=O)c1c2c(nn1CCO)-c1ccncc1CC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.35
CDK2 P24941 5/20 0.34
CCNA2 P20248 4/20 0.34
CCNA1 P78396 4/20 0.34
AURKA O14965 3/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
AAK1 Q2M2I8 3/20 0.32
CDK4 P11802 1/20 0.32
CCND3 P30281 1/20 0.32
CDK6 Q00534 1/20 0.32
MAPK1 P28482 1/20 0.32
FGFR1 P11362 1/20 0.32
SRC P12931 1/20 0.32
FGFR2 P21802 1/20 0.32
FGFR4 P22455 1/20 0.32
FGFR3 P22607 1/20 0.32
GRK2 P25098 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 0.86 CDK2 (0.35) ROCK2CDK2CCNA2CCNA1AURKA
SCHEMBL6794173 0.85 ROCK2 (0.38) ROCK2CDK2CCNA2CCNA1AURKA
SCHEMBL6795982 0.81 CDK2 (0.45) ROCK2CDK2CCNA2CCNA1AURKA
SCHEMBL1659385 0.80 CDK2 (0.34) ROCK2CDK2CCNA2CCNA1AURKA
Hydrochloric Acid SCHEMBL6793245 0.79 CCNA2 (0.37) CDK2CCNA2CCNA1KDM4EALDH1A1
SCHEMBL6793304 0.79 KDM4C (0.37) CDK2CCNA2CCNA1AURKAAAK1
SCHEMBL6794272 0.79 CCNA2 (0.37) CDK2CCNA2CCNA1KDM4ECDK4
Hydrochloric Acid SCHEMBL6789049 0.78 CDK2 (0.37) CDK2CCNA2CCNA1KDM4EALDH1A1
SCHEMBL6792409 0.78 TEAD2 (0.38) CDK2CCNA2CCNA1KDM4EALDH1A1
SCHEMBL1655455 0.76 CDK2 (0.36) ROCK2CDK2CCNA2CCNA1AURKA

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 ROCK2 317/4885CDK2 29/4885CCNA2 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.