SCHEMBL4873386

SCHEMBL4873386

NC1CCN(c2ccc3c(=O)[nH]cnc3c2)CC1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.68
PIK3CA P42336 1/20 0.68
PIK3CB P42338 1/20 0.68
IP6K1 Q92551 14/20 0.58
IP6K3 Q96PC2 4/20 0.58
IP6K2 Q9UHH9 1/20 0.54
PARP1 P09874 3/20 0.48
ALDH1A1 P00352 1/20 0.48
CHEK1 O14757 1/20 0.48
PIM1 P11309 1/20 0.48
RPS6KA3 P51812 1/20 0.48
HRH3 Q9Y5N1 1/20 0.43
PDPK1 O15530 1/20 0.42
CA12 O43570 1/20 0.42
ALOX15 P16050 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA9 Q16790 1/20 0.42
TNKS2 Q9H2K2 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
SCHEMBL4878824 0.82 PIK3CD (0.73) PIK3CDPIK3CAPIK3CBIP6K1IP6K3
SCHEMBL30169542 0.82 PIK3CD (0.73) PIK3CDPIK3CAPIK3CBIP6K1IP6K3
SCHEMBL30823308 0.81 PIK3CD (1.00) PIK3CDPIK3CAPIK3CBIP6K1IP6K3
SCHEMBL2426171 0.81 PIK3CD (1.00) PIK3CDPIK3CAPIK3CBIP6K1IP6K3
SCHEMBL4876138 0.81 PIK3CD (0.71) PIK3CDPIK3CAPIK3CBIP6K1IP6K3
SCHEMBL4878913 0.81 PIK3CD (0.78) PIK3CDPIK3CAPIK3CBIP6K1IP6K3
SCHEMBL4875832 0.81 PIK3CD (0.60) PIK3CDPIK3CAPIK3CBIP6K1IP6K3
SCHEMBL4879519 0.80 PIK3CD (0.56) PIK3CDPIK3CAPIK3CBIP6K1IP6K3
SCHEMBL4873411 0.78 PIK3CD (0.67) PIK3CDPIK3CAPIK3CBIP6K1IP6K3
SCHEMBL4869700 0.78 PIK3CD (0.67) PIK3CDPIK3CAPIK3CBIP6K1IP6K3

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
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.