SCHEMBL5720813

SCHEMBL5720813

CC(C)NC(=O)N1Cc2n[nH]c(-c3ccc(N(C)C)cc3)c2C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 6/20 0.38
AURKA O14965 1/20 0.38
CCNA2 P20248 1/20 0.38
CCNA1 P78396 1/20 0.38
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
ABL1 P00519 2/20 0.34
BCR P11274 2/20 0.34
KIT P10721 1/20 0.34
PDGFRA P16234 1/20 0.34
KDR P35968 1/20 0.34
CCNE2 O96020 5/20 0.34
CDK4 P11802 5/20 0.34
CCND1 P24385 5/20 0.34
CCNE1 P24864 5/20 0.34
DGAT1 O75907 1/20 0.33
NAMPT P43490 1/20 0.33
CSNK1D P48730 1/20 0.33
CSNK1E P49674 1/20 0.33
TNIK Q9UKE5 2/20 0.33

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
SCHEMBL5720811 0.86 ADORA3 (0.42) CDK2AURKACCNA2CCNA1ROCK2
SCHEMBL5720894 0.84 TSHR (0.43) CDK2AURKACCNA2CCNA1CSNK1E
SCHEMBL5720800 0.83 MAPK1 (0.39) CDK2AURKACCNA2CCNA1ABL1
SCHEMBL5720843 0.82 CYP3A4 (0.40) CDK2AURKACCNA2CCNA1CYP3A4
SCHEMBL5720818 0.80 CDK2 (0.46) CDK2AURKACCNA2CCNA1ROCK2
SCHEMBL5720832 0.77 AURKA (0.40) CDK2AURKACCNA2CCNA1ROCK2
SCHEMBL5720824 0.75 AURKA (0.38) CDK2AURKACCNA2CCNA1ROCK2
SCHEMBL5720858 0.69 GRM5 (0.39) CDK2AURKACCNA2CCNA1CYP3A4
SCHEMBL5720833 0.66 CCNA2 (0.49) CDK2AURKACCNA2CCNA1CCNE2
SCHEMBL5720815 0.65 BRD4 (0.55) CDK2AURKACCNA2CCNA1ROCK2

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 CDK2 52/4885AURKA 173/4885CCNA2 915/4885

“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.