SCHEMBL6790555

SCHEMBL6790555

O=C(O)c1nn(CC(F)(F)F)c2c1CCC1=C2CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)N1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 3/20 0.40
CDK2 P24941 3/20 0.40
CCNA1 P78396 3/20 0.40
AURKA O14965 1/20 0.40
PLK1 P53350 1/20 0.40
CACNA1G O43497 2/20 0.32
CACNA1H O95180 2/20 0.32
CACNA1I Q9P0X4 2/20 0.32
RAB9A P51151 1/20 0.31
HTR3A P46098 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
POLB P06746 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
SCHEMBL6800274 0.88 ALDH1A1 (0.40) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL6793353 0.77 PIK3CD (0.35) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL6798193 0.76 ALDH1A1 (0.41) CCNA2CDK2CCNA1POLB
SCHEMBL6788861 0.73 CCNA2 (0.37) CCNA2CDK2CCNA1
SCHEMBL6791828 0.73 CDK2 (0.45) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL6789505 0.72 SMN1; SMN2 (0.41) RAB9A
SCHEMBL6790820 0.70 CCNA2 (0.36) CCNA2CDK2CCNA1
SCHEMBL6793102 0.66 ALDH1A1 (0.35) CCNA2CDK2CCNA1AURKARAB9A
SCHEMBL6792562 0.64 AURKA (0.51) AURKARAB9APOLB
SCHEMBL6786625 0.63 CCNA2 (0.41) CCNA2CDK2CCNA1AURKAPLK1

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.