SCHEMBL5720858

SCHEMBL5720858

CC(C)NC(=O)N1Cc2n[nH]c(C#Cc3ccccc3)c2C1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.39
AURKA O14965 2/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CCNA1 P78396 1/20 0.38
AURKB Q96GD4 1/20 0.36
CYP3A4 P08684 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTGES O14684 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL5720872 0.83 GRM5 (0.46) GRM5AURKACCNA2CDK2CCNA1
SCHEMBL5720863 0.80 CCNA2 (0.46) GRM5AURKACCNA2CDK2CCNA1
SCHEMBL5720811 0.79 ADORA3 (0.42) AURKACCNA2CDK2CCNA1CYP3A4
SCHEMBL5720832 0.77 AURKA (0.40) AURKACCNA2CDK2CCNA1CYP3A4
SCHEMBL5720843 0.73 CYP3A4 (0.40) AURKACCNA2CDK2CCNA1CYP3A4
SCHEMBL5720841 0.72 ACACB (0.43) SMN1; SMN2NPC1RAB9A
SCHEMBL5720815 0.70 BRD4 (0.55) AURKACCNA2CDK2CCNA1
SCHEMBL5720813 0.69 CDK2 (0.38) AURKACCNA2CDK2CCNA1CYP3A4
SCHEMBL5720894 0.69 TSHR (0.43) AURKACCNA2CDK2CCNA1CYP3A4
SCHEMBL2924461 0.68 CCNA2 (0.37) GRM5AURKACCNA2CDK2CCNA1

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 GRM5 1398/4885AURKA 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.