SCHEMBL6795024

SCHEMBL6795024

CN(C)c1cccc(-c2cc3c(cn2)CCc2c-3nn3c2C(=O)NCC3)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 11/20 0.41
FYN P06241 4/20 0.36
CDK4 P11802 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCND3 P30281 1/20 0.36
CDK6 Q00534 1/20 0.36
RIPK3 Q9Y572 1/20 0.35
IP6K1 Q92551 1/20 0.34
NTRK1 P04629 1/20 0.33
MAP4K1 Q92918 1/20 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
SCHEMBL4262262 0.95 MAPKAPK2 (0.40) MAPKAPK2FYNCDK4CCNA2CDK2
SCHEMBL4265876 0.90 MAPKAPK2 (0.41) MAPKAPK2CDK4CCNA2CDK2CCND3
SCHEMBL1660776 0.86 MAPKAPK2 (0.43) MAPKAPK2FYNCDK2
SCHEMBL4264450 0.85 MAPKAPK2 (0.45) MAPKAPK2
SCHEMBL6794024 0.84 MAPKAPK2 (0.41) MAPKAPK2
SCHEMBL6799047 0.81 PARP10 (0.47) MAPKAPK2RIPK3
SCHEMBL4260865 0.81 MAPKAPK2 (0.41) MAPKAPK2
SCHEMBL4264409 0.80 MAPKAPK2 (0.56) MAPKAPK2
SCHEMBL4258866 0.79 TMEM97 (0.44) MAPKAPK2FYN
SCHEMBL6792722 0.79 MAPKAPK2 (0.44) MAPKAPK2

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 MAPKAPK2 2/4885FYN 441/4885CDK4 154/4885

“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.