SCHEMBL6792172

SCHEMBL6792172

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

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CCNA1 P78396 1/20 0.32
HTR1A P08908 1/20 0.30
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30
HTR1D P28221 1/20 0.30
HTR1B P28222 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR7 P34969 1/20 0.30
ADRA1B P35368 1/20 0.30
DRD3 P35462 1/20 0.30
HTR2B P41595 1/20 0.30
HTR5A P47898 1/20 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
SCHEMBL6793893 0.96 AURKA (0.30) AURKACCNA2CDK2CCNA1
Trifluoroacetic Acid SCHEMBL6792174 0.90 HTR5A (0.34) AURKACCNA2CDK2CCNA1HTR1A
Trifluoroacetic Acid SCHEMBL6792169 0.90 HTR5A (0.34) AURKACCNA2CDK2CCNA1HTR1A
SCHEMBL6787892 0.89 HTR1A (0.35) AURKACCNA2CDK2CCNA1HTR1A
SCHEMBL6794205 0.87 CDK2 (0.38) AURKACCNA2CDK2CCNA1
Trifluoroacetic Acid SCHEMBL6793894 0.86 HTR1A (0.33) AURKACCNA2CDK2CCNA1HTR1A
Trifluoroacetic Acid SCHEMBL6793889 0.86 HTR1A (0.33) AURKACCNA2CDK2CCNA1HTR1A
SCHEMBL1656609 0.82 CDK2 (0.35) AURKACCNA2CDK2CCNA1
SCHEMBL4259042 0.81 HTR5A (0.33) AURKACCNA2CDK2CCNA1HTR1A
SCHEMBL4263121 0.79 ROCK2 (0.37) 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.