SCHEMBL5454239

SCHEMBL5454239

CC(C)(C)c1ccc(C(=O)Nc2n[nH]c3c2CN(c2ccnc(NC4CC4)n2)C3)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AURKA O14965 14/20 0.51
CCNA2 P20248 7/20 0.43
CDK2 P24941 7/20 0.43
CCNA1 P78396 7/20 0.43
F2 P00734 1/20 0.39
KMT2A Q03164 1/20 0.39
HRH4 Q9H3N8 2/20 0.38
TRPV1 Q8NER1 1/20 0.37
AURKB Q96GD4 2/20 0.37
ALK Q9UM73 1/20 0.37

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
SCHEMBL5454686 0.90 CCNA2 (0.53) AURKACCNA2CDK2CCNA1HRH4
SCHEMBL5449349 0.87 AURKA (0.51) AURKACCNA2CDK2CCNA1F2
SCHEMBL5454557 0.85 AURKA (0.55) AURKACCNA2CDK2CCNA1AURKB
SCHEMBL5459347 0.85 AURKA (0.61) AURKACCNA2CDK2CCNA1AURKB
SCHEMBL5454247 0.84 F2 (0.39) AURKACDK2F2KMT2AHRH4
SCHEMBL5495916 0.83 AURKA (0.55) AURKACCNA2CDK2CCNA1AURKB
SCHEMBL5451779 0.83 AURKA (0.49) AURKACCNA2CDK2CCNA1AURKB
SCHEMBL5454345 0.82 AURKA (0.53) AURKACCNA2CDK2CCNA1F2
SCHEMBL5446062 0.82 AURKA (0.49) AURKACCNA2CDK2CCNA1AURKB
SCHEMBL5454355 0.81 AURKA (0.51) AURKACCNA2CDK2CCNA1AURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070037790-A1 Bicyclo-pyrazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2007-02-15 US claimed
US-20070037790-A1 Bicyclo-pyrazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2007-02-15 US disclosed
EP-1608364-A1 BICYCLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2005-12-28 EP disclosed
WO-2004080457-A1 BICYCLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2004-09-23 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-20070037790-A1 Bicyclo-pyrazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K15, MAP3K7, MAP3K19 AURKA 179/4885CCNA2 1123/4885CDK2 65/4885

“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.