SCHEMBL4062151

SCHEMBL4062151

CCNc1c(C(=O)OCC)cnc(Cl)c1N

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.48
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
PKM P14618 1/20 0.44
KDM4E B2RXH2 6/20 0.44
GAA P10253 1/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
ALDH1A1 P00352 5/20 0.43
MAPK1 P28482 1/20 0.43
MAPT P10636 6/20 0.43
TP53 P04637 2/20 0.43
THRB P10828 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CSNK1D P48730 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL4766455 0.88 HSP90AA1 (0.46) HSP90AA1KMT2AMEN1PKMKDM4E
SCHEMBL12794865 0.81 KDM4E (0.44) KMT2AMEN1PKMKDM4EGAA
SCHEMBL4246885 0.80 ALDH1A1 (0.45) HSP90AA1KMT2AMEN1PKMKDM4E
SCHEMBL986685 0.79 PDE5A (0.42) KMT2AMEN1PKMKDM4EGAA
SCHEMBL30065042 0.79 NPC1 (0.50) HSP90AA1KMT2AMEN1KDM4ENPC1
SCHEMBL22208087 0.79 NPC1 (0.50) HSP90AA1KMT2AMEN1KDM4ENPC1
SCHEMBL4104185 0.79 NPC1 (0.50) HSP90AA1KMT2AMEN1KDM4ENPC1
SCHEMBL30064908 0.79 NPC1 (0.50) HSP90AA1KMT2AMEN1KDM4ENPC1
SCHEMBL31462196 0.76 NPC1 (0.48) HSP90AA1KMT2AMEN1KDM4ENPC1
SCHEMBL31552179 0.76 NPC1 (0.48) HSP90AA1KMT2AMEN1KDM4ENPC1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1653961-A4 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORP (US) 2009-04-01 EP disclosed
US-20080255143-A1 Inhibitors of Akt Activity SMITHKLINE BEECHAM CORPORATION (PA) 2008-10-16 US disclosed
CN-1859912-A Inhibitors of Akt activity SMITHKLINE BEECHAM CORP (US) 2006-11-08 CN disclosed
EP-1653961-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2006-05-10 EP disclosed
WO-2005011700-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2005-02-10 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-20080255143-A1 Inhibitors of Akt Activity PI4KB, PIK3CA, AKT2 HSP90AA1 816/4885KMT2A 1852/4885MEN1 3151/4885

“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.