SCHEMBL4019871

SCHEMBL4019871

N#CN(C(=O)c1ccccc1)c1n[nH]c2c1CN(C(N)=O)C2

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 8/20 0.47
CDK2 P24941 8/20 0.47
CCNA1 P78396 8/20 0.47
AURKA O14965 7/20 0.42
USP7 Q93009 1/20 0.34
BRD4 O60885 2/20 0.32
CREBBP Q92793 2/20 0.32
EP300 Q09472 1/20 0.32
RBP4 P02753 1/20 0.32
P2RX7 Q99572 1/20 0.31

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
SCHEMBL4020705 0.89 CCNA2 (0.55) CCNA2CDK2CCNA1AURKAUSP7
SCHEMBL4017924 0.84 CCNA2 (0.43) CCNA2CDK2CCNA1AURKABRD4
SCHEMBL2921762 0.71 AURKA (0.78) CCNA2CDK2CCNA1AURKA
SCHEMBL4027182 0.68 CCNA2 (0.43) CCNA2CDK2CCNA1AURKABRD4
SCHEMBL2923570 0.66 AURKA (0.62) CCNA2CDK2CCNA1AURKA
SCHEMBL2922283 0.66 CCNA2 (0.71) CCNA2CDK2CCNA1AURKA
SCHEMBL2916704 0.64 CCNA2 (0.63) CCNA2CDK2CCNA1AURKABRD4
SCHEMBL17234814 0.64 CCNA2 (0.47) CCNA2CDK2CCNA1AURKABRD4
SCHEMBL2921282 0.64 CDK2 (1.00) CCNA2CDK2CCNA1AURKA
SCHEMBL17232769 0.63 CCNA2 (0.53) CCNA2CDK2CCNA1AURKABRD4

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-7531531-B2 Method of treating diseases associated with altered kinase activity with bicyclo-pyrazoles PFIZER ITALIA S.R.L. (IT) 2009-05-12 US disclosed
US-20070191386-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2007-08-16 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-20070191386-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 CCNA2 848/4885CDK2 43/4885CCNA1 793/4885

“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.