SCHEMBL6793189

SCHEMBL6793189

O=C(O)c1c2c(nn1CCO)-c1ccncc1CC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 5/20 0.35
CCNA2 P20248 3/20 0.35
CCNA1 P78396 3/20 0.35
AURKA O14965 3/20 0.34
BRAF P15056 3/20 0.33
BMPR1B O00238 2/20 0.33
CIT O14578 2/20 0.33
RIPK2 O43353 2/20 0.33
STK10 O94804 2/20 0.33
MAP4K4 O95819 2/20 0.33
ABL1 P00519 2/20 0.33
RAF1 P04049 2/20 0.33
ERBB3 P21860 2/20 0.33
JAK1 P23458 2/20 0.33
ACVR1B P36896 2/20 0.33
TGFBR1 P36897 2/20 0.33
CSNK1D P48730 2/20 0.33
CSNK1E P49674 2/20 0.33
MAPK10 P53779 2/20 0.33
MAP2K5 Q13163 2/20 0.33

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
SCHEMBL1659385 0.93 CDK2 (0.34) CDK2CCNA2CCNA1AURKABRAF
SCHEMBL1655455 0.89 CDK2 (0.36) CDK2CCNA2CCNA1AURKABRAF
SCHEMBL6793304 0.89 KDM4C (0.37) CDK2CCNA2CCNA1AURKAAAK1
Hydrochloric Acid SCHEMBL4257712 0.88 CDK2 (0.36) CDK2CCNA2CCNA1AURKABRAF
SCHEMBL6792371 0.86 ROCK2 (0.35) CDK2CCNA2CCNA1AURKAMAPK1
Hydrochloric Acid SCHEMBL1658167 0.86 CDK2 (0.42) CDK2CCNA2CCNA1AURKABRAF
Hydrochloric Acid SCHEMBL1658063 0.85 CDK2 (0.40) CDK2CCNA2CCNA1AURKABRAF
Hydrochloric Acid SCHEMBL6787345 0.85 ROCK2 (0.32) CDK2AURKAAAK1ROCK2GRK2
SCHEMBL6787046 0.85 CDK2 (0.38) CDK2CCNA2CCNA1AURKAPDPK1
SCHEMBL6799797 0.85 AAK1 (0.35) CDK2AAK1PDPK1

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.