SCHEMBL5720799

SCHEMBL5720799

CC(=O)N1Cc2n[nH]c(-c3ccccc3)c2C1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 5/20 0.47
CDK2 P24941 5/20 0.47
CCNA1 P78396 5/20 0.47
AURKA O14965 4/20 0.47
NOTUM Q6P988 1/20 0.44
CREBBP Q92793 5/20 0.43
EP300 Q09472 3/20 0.43
BRD4 O60885 2/20 0.43
MAPK1 P28482 1/20 0.39
KDR P35968 1/20 0.39
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
BAZ2B Q9UIF8 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SMO Q99835 1/20 0.36

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
SCHEMBL5720830 0.89 BTK (0.47) CCNA2CDK2CCNA1AURKACREBBP
SCHEMBL5720882 0.84 AURKA (0.51) CCNA2CDK2CCNA1AURKACREBBP
SCHEMBL5720853 0.84 L3MBTL1 (0.47) CCNA2CDK2CCNA1AURKAMAPT
SCHEMBL5720821 0.82 CKS1B (0.42) MAPK1LMNA
SCHEMBL5720872 0.76 GRM5 (0.46) CCNA2CDK2CCNA1AURKANOTUM
SCHEMBL2920173 0.76 CCNA2 (0.39) CCNA2CDK2CCNA1AURKANOTUM
SCHEMBL4484875 0.76 CCNA2 (0.37) CCNA2CDK2CCNA1AURKANOTUM
SCHEMBL2915617 0.76 AURKA (0.44) CCNA2CDK2CCNA1AURKACREBBP
SCHEMBL2921266 0.75 CCNA2 (0.63) CCNA2CDK2CCNA1AURKANOTUM
SCHEMBL5720814 0.75 KCNK3 (0.39) CCNA2CDK2CCNA1AURKANOTUM

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060135508-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2006-06-22 US disclosed
EP-1527074-A1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2005-05-04 EP disclosed
WO-2004013144-A1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA SPA (IT) 2004-02-12 WO 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-20060135508-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K15, MAP3K5, MAP3K19 CCNA2 915/4885CDK2 52/4885CCNA1 790/4885

“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.