SCHEMBL4869767

SCHEMBL4869767

NCC1(Cc2ccc(Cl)cc2)CCN(c2ccc3c(=O)[nH]cnc3c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 5/20 0.53
GSK3B P49841 3/20 0.53
PIK3CD O00329 1/20 0.53
PIK3CA P42336 1/20 0.53
PIK3CB P42338 1/20 0.53
ALDH1A1 P00352 1/20 0.47
IP6K1 Q92551 10/20 0.45
IP6K3 Q96PC2 4/20 0.45
PARP1 P09874 2/20 0.39
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
RPS6KB1 P23443 1/20 0.38
AKT1 P31749 1/20 0.38
CHEK1 O14757 1/20 0.37
PIM1 P11309 1/20 0.37
RPS6KA3 P51812 1/20 0.37
IP6K2 Q9UHH9 1/20 0.37
KDR P35968 1/20 0.36
TEK Q02763 1/20 0.36

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
SCHEMBL4865960 0.88 PIK3CD (0.55) AKT2GSK3BPIK3CDPIK3CAPIK3CB
SCHEMBL4869946 0.84 PIK3CD (0.55) AKT2GSK3BPIK3CDPIK3CAPIK3CB
SCHEMBL4875291 0.81 PIK3CD (0.58) AKT2GSK3BPIK3CDPIK3CAPIK3CB
SCHEMBL14003524 0.78 PIK3CD (0.55) AKT2GSK3BPIK3CDPIK3CAPIK3CB
SCHEMBL4876064 0.76 AKT2 (0.44) AKT2GSK3BALDH1A1
SCHEMBL4879519 0.73 PIK3CD (0.56) AKT2GSK3BPIK3CDPIK3CAPIK3CB
SCHEMBL30169542 0.71 PIK3CD (0.73) PIK3CDPIK3CAPIK3CBALDH1A1IP6K1
SCHEMBL4878824 0.71 PIK3CD (0.73) PIK3CDPIK3CAPIK3CBALDH1A1IP6K1
SCHEMBL1001970 0.71 AKT2 (0.74) AKT2GSK3BCYP2D6CYP2C9RPS6KB1
SCHEMBL4877211 0.71 AKT2 (0.44) AKT2GSK3BCYP2D6CYP2C9RPS6KB1

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 850/4885PIK3CD 2103/4885

“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.