SCHEMBL5720845

SCHEMBL5720845

CC(C)NC(=O)N1Cc2[nH]nc(-c3ccc(OCc4ccccc4)cc3)c2C1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.45
CREBBP Q92793 1/20 0.45
ACACB O00763 2/20 0.43
CCNA2 P20248 3/20 0.43
CDK2 P24941 3/20 0.43
CCNA1 P78396 3/20 0.43
AURKA O14965 2/20 0.42
CACNA1B Q00975 1/20 0.42
KCNA3 P22001 1/20 0.41
FAAH O00519 1/20 0.40
P2RX7 Q99572 1/20 0.40
ACACA Q13085 1/20 0.40
BCL2 P10415 1/20 0.40
MDM2 Q00987 1/20 0.40
MCL1 Q07820 1/20 0.40
NR1H4 Q96RI1 2/20 0.40
PPARD Q03181 1/20 0.40

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
SCHEMBL5720849 0.88 BRD4 (0.46) BRD4CREBBPACACBCCNA2CDK2
SCHEMBL5720857 0.87 AURKA (0.53) BRD4CREBBPCCNA2CDK2CCNA1
SCHEMBL5720897 0.85 NPC1 (0.52) BRD4CREBBPCCNA2CDK2CCNA1
SCHEMBL5720841 0.83 ACACB (0.43) ACACBCACNA1BKCNA3FAAHACACA
SCHEMBL5720818 0.79 CDK2 (0.46) BRD4CREBBPCCNA2CDK2CCNA1
SCHEMBL19358406 0.74 USP7 (0.70)
SCHEMBL5720863 0.72 CCNA2 (0.46) BRD4CREBBPCCNA2CDK2CCNA1
SCHEMBL23645939 0.71 IKBKE (0.46)
SCHEMBL5720843 0.70 CYP3A4 (0.40) ACACBCCNA2CDK2CCNA1AURKA
SCHEMBL28739856 0.70 BRD4 (0.61) BRD4CREBBPCCNA2CDK2CCNA1

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 BRD4 394/4885CREBBP 619/4885ACACB 2236/4885

“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.