SCHEMBL6788934

SCHEMBL6788934

NC(=O)c1c2c(nn1CCCOCc1ccccc1)-c1cc(-c3cnc4ccccc4c3)ncc1CC2

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.40
CDK2 P24941 12/20 0.38
CCNA2 P20248 11/20 0.38
CCNA1 P78396 11/20 0.38
AURKA O14965 6/20 0.38
MTOR P42345 4/20 0.36
PIK3CA P42336 2/20 0.36
PDPK1 O15530 1/20 0.36
HDAC1 Q13547 2/20 0.36
PLK1 P53350 3/20 0.35
GPR39 O43194 1/20 0.34
CDK4 P11802 1/20 0.34
CCND3 P30281 1/20 0.34
TTK P33981 1/20 0.34
CDK6 Q00534 1/20 0.34
PLK3 Q9H4B4 1/20 0.34
PLK2 Q9NYY3 1/20 0.34
HSP90AA1 P07900 1/20 0.34
TEAD3 Q99594 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
SCHEMBL1660771 0.94 MAPKAPK2 (0.41) MAPKAPK2CDK2CCNA2CCNA1AURKA
Hydrochloric Acid SCHEMBL4263089 0.86 CDK2 (0.44) MAPKAPK2CDK2CCNA2CCNA1AURKA
SCHEMBL6794525 0.85 MAPKAPK2 (0.41) MAPKAPK2CDK2CCNA2CCNA1AURKA
SCHEMBL6794954 0.81 MAPKAPK2 (0.39) MAPKAPK2CDK2CCNA2CCNA1AURKA
SCHEMBL1660747 0.79 MAPKAPK2 (0.43) MAPKAPK2CDK2CCNA2CCNA1AURKA
SCHEMBL4272021 0.79 MAPKAPK2 (0.38) MAPKAPK2CDK2CCNA2CCNA1AURKA
Trifluoroacetic Acid SCHEMBL4267121 0.79 MAPKAPK2 (0.44) MAPKAPK2CDK2CCNA2CCNA1AURKA
Hydrochloric Acid SCHEMBL1655155 0.78 HDAC1 (0.42) MAPKAPK2CDK2CCNA2CCNA1AURKA
SCHEMBL4267125 0.77 MAPKAPK2 (0.39) MAPKAPK2CDK2CCNA2CCNA1AURKA
Hydrochloric Acid SCHEMBL4269768 0.76 MAPKAPK2 (0.39) MAPKAPK2CDK2CCNA2CCNA1AURKA

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 2/4885CDK2 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.