SCHEMBL4879519

SCHEMBL4879519

NC(c1ccc(Cl)cc1)C1CCN(c2ccc3c(=O)[nH]cnc3c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.56
PIK3CA P42336 1/20 0.56
PIK3CB P42338 1/20 0.56
ALDH1A1 P00352 1/20 0.53
AKT2 P31751 4/20 0.53
GSK3B P49841 2/20 0.51
IP6K1 Q92551 10/20 0.47
IP6K3 Q96PC2 4/20 0.47
IP6K2 Q9UHH9 1/20 0.45
PARP1 P09874 2/20 0.44
RPS6KB1 P23443 1/20 0.41
CHEK1 O14757 1/20 0.39
PIM1 P11309 1/20 0.39
RPS6KA3 P51812 1/20 0.39
MAT2A P31153 1/20 0.38

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
SCHEMBL4873386 0.80 PIK3CD (0.68) PIK3CDPIK3CAPIK3CBALDH1A1IP6K1
SCHEMBL4875291 0.77 PIK3CD (0.58) PIK3CDPIK3CAPIK3CBALDH1A1AKT2
SCHEMBL4869946 0.74 PIK3CD (0.55) PIK3CDPIK3CAPIK3CBALDH1A1AKT2
SCHEMBL4865960 0.74 PIK3CD (0.55) PIK3CDPIK3CAPIK3CBALDH1A1AKT2
SCHEMBL4878824 0.73 PIK3CD (0.73) PIK3CDPIK3CAPIK3CBALDH1A1IP6K1
SCHEMBL30169542 0.73 PIK3CD (0.73) PIK3CDPIK3CAPIK3CBALDH1A1IP6K1
SCHEMBL4869767 0.73 AKT2 (0.53) PIK3CDPIK3CAPIK3CBALDH1A1AKT2
SCHEMBL29898482 0.72 ALDH1A1 (1.00) PIK3CDPIK3CAPIK3CBALDH1A1GSK3B
SCHEMBL643424 0.72 ALDH1A1 (1.00) PIK3CDPIK3CAPIK3CBALDH1A1GSK3B
SCHEMBL14003524 0.72 PIK3CD (0.55) PIK3CDPIK3CAPIK3CBALDH1A1AKT2

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 8 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
EP-1814552-A2 COMPOUNDS FOR TREATING PROTEIN-KINASE MEDIATED DISORDERS Astex Therapeutics Limited (GB) 2007-08-08 EP claimed
WO-2006051290-A2 COMPOUNDS FOR TREATING PROTEIN-KINASE MEDIATED DISORDERS ASTEX THERAPEUTICS LIMITED (GB) 2006-05-18 WO 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 PIK3CD 2103/4885PIK3CA 1503/4885PIK3CB 2116/4885

“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.