SCHEMBL6793766

SCHEMBL6793766

O=C(O)c1c2c(nn1CCCN1CCCCC1)-c1ccncc1CC2

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 2/20 0.39
CDK2 P24941 2/20 0.39
CCNA1 P78396 2/20 0.39
AURKA O14965 1/20 0.39
NAMPT P43490 1/20 0.38
HRH3 Q9Y5N1 3/20 0.37
CHRNA7 P36544 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM3 P20309 1/20 0.34

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
SCHEMBL6787046 0.99 CDK2 (0.38) CCNA2CDK2CCNA1AURKANAMPT
SCHEMBL6793396 0.92 NAMPT (0.36) CCNA2CDK2CCNA1AURKANAMPT
SCHEMBL6794733 0.88 BRAF (0.34) NAMPT
SCHEMBL1659385 0.86 CDK2 (0.34) CCNA2CDK2CCNA1AURKANAMPT
Trifluoroacetic Acid SCHEMBL6796768 0.85 CCNC (0.32) CCNA2CDK2CCNA1AURKAHRH3
Trifluoroacetic Acid SCHEMBL6794286 0.85 CDK2 (0.36) CCNA2CDK2CCNA1AURKANAMPT
Hydrochloric Acid SCHEMBL1658167 0.84 CDK2 (0.42) CCNA2CDK2CCNA1AURKA
SCHEMBL6794518 0.84 PLK1 (0.36) CCNA2CDK2CCNA1AURKACHRM2
SCHEMBL6793189 0.84 CDK2 (0.35) CCNA2CDK2CCNA1AURKA
Trifluoroacetic Acid SCHEMBL6791881 0.84 CHRM2 (0.35) CCNA2CDK2CCNA1AURKACHRM2

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 CCNA2 270/4885CDK2 29/4885CCNA1 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.