SCHEMBL6793893

SCHEMBL6793893

O=C(OC(=O)C(F)(F)F)c1c2c(nn1CCCNCCc1ccc(Br)cc1)-c1cc(C=Cc3ccccc3)ncc1CC2

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.30
CCNA2 P20248 2/20 0.30
CDK2 P24941 2/20 0.30
CCNA1 P78396 2/20 0.30

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
SCHEMBL6792172 0.96 AURKA (0.32) AURKACCNA2CDK2CCNA1
Trifluoroacetic Acid SCHEMBL6793894 0.91 HTR1A (0.33) AURKACCNA2CDK2CCNA1
Trifluoroacetic Acid SCHEMBL6793889 0.91 HTR1A (0.33) AURKACCNA2CDK2CCNA1
Trifluoroacetic Acid SCHEMBL6792169 0.86 HTR5A (0.34) AURKACCNA2CDK2CCNA1
Trifluoroacetic Acid SCHEMBL6792174 0.86 HTR5A (0.34) AURKACCNA2CDK2CCNA1
SCHEMBL6787892 0.85 HTR1A (0.35) AURKACCNA2CDK2CCNA1
SCHEMBL6794205 0.85 CDK2 (0.38) AURKACCNA2CDK2CCNA1
SCHEMBL1655854 0.83 AURKA (0.31) AURKACCNA2CDK2CCNA1
SCHEMBL4271508 0.80 AURKA (0.31) AURKACCNA2CDK2CCNA1
SCHEMBL1656609 0.80 CDK2 (0.35) AURKACCNA2CDK2CCNA1

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 AURKA 341/4885CCNA2 270/4885CDK2 29/4885

“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.