SCHEMBL5720833

SCHEMBL5720833

CC(C)NC(=O)N1Cc2[nH]nc(I)c2C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 13/20 0.49
CDK2 P24941 13/20 0.49
CCNA1 P78396 13/20 0.49
AURKA O14965 10/20 0.49
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.35
CCNB2 O95067 2/20 0.34
CCNE2 O96020 2/20 0.34
CDK1 P06493 2/20 0.34
CCNB1 P14635 2/20 0.34
CCNE1 P24864 2/20 0.34
MAPK1 P28482 2/20 0.34
GSK3B P49841 2/20 0.34
CDK5 Q00535 2/20 0.34
CDK5R1 Q15078 2/20 0.34
CCNB3 Q8WWL7 2/20 0.34
PIP5K1C O60331 2/20 0.33
CYP3A4 P08684 1/20 0.33
ALDH1A1 P00352 1/20 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
SCHEMBL5720832 0.78 AURKA (0.40) CCNA2CDK2CCNA1AURKAPKM
SCHEMBL21995304 0.77 CCNA2 (0.39) CCNA2CDK2CCNA1AURKA
SCHEMBL5720815 0.77 BRD4 (0.55) CCNA2CDK2CCNA1AURKAMAPK1
SCHEMBL5720818 0.73 CDK2 (0.46) CCNA2CDK2CCNA1AURKACCNE2
SCHEMBL5720897 0.73 NPC1 (0.52) CCNA2CDK2CCNA1AURKASMN1; SMN2
SCHEMBL5720863 0.73 CCNA2 (0.46) CCNA2CDK2CCNA1AURKACCNB2
SCHEMBL5720827 0.72 CCNA2 (0.46) CCNA2CDK2CCNA1AURKACCNB2
SCHEMBL5720844 0.71 NR1H2 (0.40) CCNA2CDK2CCNA1AURKASMN1; SMN2
SCHEMBL5720849 0.71 BRD4 (0.46) CCNA2CDK2CCNA1AURKASMN1; SMN2
SCHEMBL19297277 0.70 RBP4 (0.39) CCNA2CDK2CCNA1AURKACCNB2

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.