SCHEMBL5720849

SCHEMBL5720849

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

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.46
CREBBP Q92793 1/20 0.46
CCNA2 P20248 3/20 0.44
CDK2 P24941 3/20 0.44
CCNA1 P78396 3/20 0.44
AURKA O14965 2/20 0.44
MAPK1 P28482 1/20 0.42
NPC1 O15118 2/20 0.41
P2RX7 Q99572 2/20 0.41
PIP5K1C O60331 1/20 0.41
CYP3A4 P08684 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ROCK2 O75116 1/20 0.40
NAMPT P43490 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
ACACB O00763 1/20 0.40
ACACA Q13085 1/20 0.40
USP7 Q93009 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
SCHEMBL5720815 0.90 BRD4 (0.55) BRD4CREBBPCCNA2CDK2CCNA1
SCHEMBL5720897 0.88 NPC1 (0.52) BRD4CREBBPCCNA2CDK2CCNA1
SCHEMBL5720845 0.88 BRD4 (0.45) BRD4CREBBPCCNA2CDK2CCNA1
SCHEMBL5720828 0.85 MAPK1 (0.55) BRD4CREBBPCCNA2CDK2CCNA1
SCHEMBL5720818 0.82 CDK2 (0.46) BRD4CREBBPCCNA2CDK2CCNA1
SCHEMBL5720843 0.81 CYP3A4 (0.40) CCNA2CDK2CCNA1AURKACYP3A4
SCHEMBL5720857 0.74 AURKA (0.53) BRD4CREBBPCCNA2CDK2CCNA1
SCHEMBL5720802 0.73 BRD4 (0.62) BRD4CREBBPCCNA2CDK2CCNA1
SCHEMBL5720863 0.73 CCNA2 (0.46) BRD4CREBBPCCNA2CDK2CCNA1
SCHEMBL28739856 0.73 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 619/4885CCNA2 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.