SCHEMBL6792518

SCHEMBL6792518

C=CCn1cc2c(n1)CCc1c-2n[nH]c1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 4/20 0.47
CDK2 P24941 4/20 0.47
CCNA1 P78396 4/20 0.47
IKBKB O14920 11/20 0.35
AURKA O14965 1/20 0.34
PLK1 P53350 1/20 0.34
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 1/20 0.31
ALPL P05186 1/20 0.31
CLK1 P49759 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 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
SCHEMBL6801794 0.84 AURKA (0.46) CCNA2CDK2CCNA1IKBKBAURKA
SCHEMBL6792608 0.82 CCNA2 (0.47) CCNA2CDK2CCNA1IKBKBAURKA
SCHEMBL6788948 0.77 CCNA2 (0.42) CCNA2CDK2CCNA1IKBKBAURKA
SCHEMBL6793909 0.75 CCNA2 (0.50) CCNA2CDK2CCNA1IKBKBAURKA
SCHEMBL6792923 0.68 AURKA (0.47) CCNA2CDK2CCNA1IKBKBAURKA
SCHEMBL6798877 0.65 CCNA2 (0.52) CCNA2CDK2CCNA1IKBKBAURKA
SCHEMBL6788636 0.65 CCNA2 (1.00) CCNA2CDK2CCNA1IKBKBAURKA
SCHEMBL6790531 0.64 CCNA2 (0.60) CCNA2CDK2CCNA1IKBKBAURKA
SCHEMBL3979013 0.63 ADORA3 (0.34) KDM4EMEN1KMT2AHSD17B10NPC1
SCHEMBL6795304 0.62 CCNA2 (0.54) 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 2 patents. 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
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.