SCHEMBL4876064

SCHEMBL4876064

Cn1c(=O)[nH]c(=O)c2ccc(N3CCC(CN)(Cc4ccc(Cl)cc4)CC3)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 2/20 0.44
GSK3B P49841 2/20 0.44
POLB P06746 1/20 0.39
MAPT P10636 5/20 0.36
MAOB P27338 1/20 0.36
KMT2A Q03164 6/20 0.35
MEN1 O00255 5/20 0.35
TSHR P16473 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
MAPK1 P28482 1/20 0.35
MCHR1 Q99705 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
BRAF P15056 1/20 0.35
GAA P10253 1/20 0.35
TACR1 P25103 1/20 0.34
ATM Q13315 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
USP2 O75604 1/20 0.34

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
SCHEMBL4869767 0.76 AKT2 (0.53) AKT2GSK3BALDH1A1
SCHEMBL24808382 0.69 MAT2A (0.49) MAOBKMT2AMEN1SMN1; SMN2BRAF
SCHEMBL4877211 0.68 AKT2 (0.44) AKT2GSK3BLMNA
SCHEMBL4874896 0.65 AKT2 (0.45) AKT2GSK3BMAPTALDH1A1HPGD
SCHEMBL4865960 0.63 PIK3CD (0.55) AKT2GSK3BALDH1A1
SCHEMBL4874758 0.62 MAOB (0.45) MAOBMCHR1TACR1
SCHEMBL1002871 0.62 AKT2 (0.47) AKT2GSK3BPOLBMAOBKMT2A
SCHEMBL1000903 0.61 AKT2 (1.00) AKT2GSK3B
Hydrochloric Acid SCHEMBL1003304 0.61 AKT2 (0.46) AKT2GSK3BPOLBMAOBKMT2A
Hydrochloric Acid SCHEMBL4875338 0.61 AKT2 (0.46) AKT2GSK3BPOLBMAOBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080275029-A1 Compounds for Treating Protein-Kinase Mediated Disorders ASTEX THERAPEUTICS LIMITED (GB) 2008-11-06 US claimed
US-20080275029-A1 Compounds for Treating Protein-Kinase Mediated Disorders ASTEX THERAPEUTICS LIMITED (GB) 2008-11-06 US disclosed
US-20080275029-A1 Compounds for Treating Protein-Kinase Mediated Disorders ASTEX THERAPEUTICS LIMITED (GB) 2008-11-06 US disclosed
US-20080275029-A1 Compounds for Treating Protein-Kinase Mediated Disorders ASTEX THERAPEUTICS LIMITED (GB) 2008-11-06 US disclosed
EP-1814552-A2 COMPOUNDS FOR TREATING PROTEIN-KINASE MEDIATED DISORDERS Astex Therapeutics Limited (GB) 2007-08-08 EP disclosed
WO-2006051290-A2 COMPOUNDS FOR TREATING PROTEIN-KINASE MEDIATED DISORDERS ASTEX THERAPEUTICS LIMITED (GB) 2006-05-18 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-20080275029-A1 Compounds for Treating Protein-Kinase Mediated Disorders CNKSR1, PRKCH, PRKAR2B AKT2 412/4885GSK3B 850/4885POLB 2171/4885

“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.