SCHEMBL6794024

SCHEMBL6794024

O=C1NCCn2nc3c(c21)CCc1cnc(-c2ccc(-c4ccccc4)cc2)cc1-3

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 14/20 0.41
PARP10 Q53GL7 1/20 0.39
PARP11 Q9NR21 1/20 0.39
KDR P35968 3/20 0.38
CDK1 P06493 1/20 0.36
MAPKAPK3 Q16644 1/20 0.36
MAPKAPK5 Q8IW41 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
CDC7 O00311 1/20 0.36
SLC11A2 P49281 1/20 0.35

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
SCHEMBL4260865 0.92 MAPKAPK2 (0.41) MAPKAPK2PARP10PARP11KDRCDK1
SCHEMBL6792722 0.91 MAPKAPK2 (0.44) MAPKAPK2
SCHEMBL6793907 0.88 MAPKAPK2 (0.41) MAPKAPK2
SCHEMBL4265876 0.87 MAPKAPK2 (0.41) MAPKAPK2CDC7
SCHEMBL4264409 0.87 MAPKAPK2 (0.56) MAPKAPK2SLC11A2
SCHEMBL1660776 0.87 MAPKAPK2 (0.43) MAPKAPK2
SCHEMBL6799047 0.86 PARP10 (0.47) MAPKAPK2PARP10PARP11CDK1MAPKAPK3
Trifluoroacetic Acid SCHEMBL4270922 0.85 MAPKAPK2 (0.36) MAPKAPK2CDC7
SCHEMBL6795024 0.84 MAPKAPK2 (0.41) MAPKAPK2
SCHEMBL4264450 0.84 MAPKAPK2 (0.45) 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 2/4885PARP10 1528/4885PARP11 1392/4885

“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.