SCHEMBL5720828

SCHEMBL5720828

CC(=O)N1Cc2[nH]nc(-c3ccc(Oc4ccccc4)cc3)c2C1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.55
CCNA2 P20248 6/20 0.52
CDK2 P24941 6/20 0.52
CCNA1 P78396 6/20 0.52
AURKA O14965 5/20 0.52
BRD4 O60885 2/20 0.51
CREBBP Q92793 2/20 0.51
NPC1 O15118 1/20 0.45
USP7 Q93009 1/20 0.44
P2RX7 Q99572 2/20 0.43
EP300 Q09472 1/20 0.43
BTK Q06187 2/20 0.41

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
SCHEMBL5720802 0.89 BRD4 (0.62) MAPK1CCNA2CDK2CCNA1AURKA
SCHEMBL5720884 0.86 CCNA2 (0.63) MAPK1CCNA2CDK2CCNA1AURKA
SCHEMBL5720857 0.85 AURKA (0.53) MAPK1CCNA2CDK2CCNA1AURKA
SCHEMBL5720849 0.85 BRD4 (0.46) MAPK1CCNA2CDK2CCNA1AURKA
SCHEMBL13382872 0.83 MAPK1 (0.59) MAPK1CCNA2CDK2CCNA1AURKA
SCHEMBL5720803 0.79 MAPK1 (0.58) MAPK1CCNA2CDK2CCNA1AURKA
SCHEMBL2913735 0.79 AURKA (0.81) CCNA2CDK2CCNA1AURKABTK
SCHEMBL5720830 0.79 BTK (0.47) MAPK1CCNA2CDK2CCNA1AURKA
SCHEMBL28739856 0.78 BRD4 (0.61) MAPK1CCNA2CDK2CCNA1AURKA
SCHEMBL10818694 0.78 MAPK1 (0.77) MAPK1BRD4CREBBPP2RX7EP300

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 MAPK1 113/4885CCNA2 915/4885CDK2 52/4885

“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.