SCHEMBL6790548

SCHEMBL6790548

O=C(O)c1nn(CC(F)(F)F)c2c1CCC1NN(C(c3ccccc3)(c3ccccc3)c3ccccc3)C=C21

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 3/20 0.37
CDK2 P24941 3/20 0.37
CCNA1 P78396 3/20 0.37
AURKA O14965 1/20 0.37
PLK1 P53350 1/20 0.37
HTR3A P46098 2/20 0.33
CACNA1G O43497 2/20 0.31
CACNA1H O95180 2/20 0.31
CACNA1I Q9P0X4 2/20 0.31
SSTR4 P31391 1/20 0.30
RAB9A P51151 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
SCHEMBL6800269 0.89 ALDH1A1 (0.38) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL6793350 0.80 PIK3CD (0.36) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL6798186 0.77 ALDH1A1 (0.38) CCNA2CDK2CCNA1
SCHEMBL6788857 0.74 ALDH1A1 (0.36) CCNA2CDK2CCNA1
SCHEMBL6789502 0.74 SMN1; SMN2 (0.41) RAB9A
SCHEMBL6790555 0.71 CCNA2 (0.40) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL6790817 0.71 DRD2 (0.35) CCNA2CDK2CCNA1
SCHEMBL6791828 0.70 CDK2 (0.45) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL6793099 0.67 LMNA (0.36) RAB9A
SCHEMBL6794681 0.66 DRD2 (0.38)

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 disclosed

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.