SCHEMBL5720853

SCHEMBL5720853

CC(=O)N1Cc2n[nH]c(-c3ccc(OCc4ccccc4)cc3)c2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
POLB P06746 1/20 0.47
MAOB P27338 1/20 0.44
PRMT5 O14744 3/20 0.44
AURKA O14965 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
CCNA1 P78396 1/20 0.43
IKBKE Q14164 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MAP4K1 Q92918 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
BTK Q06187 2/20 0.42
S1PR5 Q9H228 2/20 0.42
GSK3B P49841 1/20 0.41
NR4A1 P22736 1/20 0.40
NR4A2 P43354 1/20 0.40
NR4A3 Q92570 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
SCHEMBL5720841 0.87 ACACB (0.43) L3MBTL1POLBNPC1RAB9AMAP4K1
SCHEMBL5720830 0.85 BTK (0.47) L3MBTL1POLBAURKACCNA2CDK2
SCHEMBL5720799 0.84 CCNA2 (0.47) AURKACCNA2CDK2CCNA1MAPT
SCHEMBL5720882 0.82 AURKA (0.51) AURKACCNA2CDK2CCNA1NPC1
SCHEMBL5720857 0.81 AURKA (0.53) L3MBTL1POLBMAOBPRMT5AURKA
SCHEMBL18926528 0.72 DHFR (0.51) MAPT
SCHEMBL3674626 0.71 NPC1 (0.50) L3MBTL1POLBMAOBPRMT5NPC1
SCHEMBL5720821 0.71 CKS1B (0.42)
SCHEMBL2921958 0.69 CCNA2 (0.65) AURKACCNA2CDK2CCNA1KDM4E
SCHEMBL5720845 0.69 BRD4 (0.45) AURKACCNA2CDK2CCNA1

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 L3MBTL1 4353/4885POLB 1664/4885MAOB 1805/4885

“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.