SCHEMBL10102571

SCHEMBL10102571

CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc(N)c4C=N)nc(N4CCOCC4)c3s2)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.70
PIK3CD O00329 15/20 0.70
PIK3CB P42338 14/20 0.70
PIK3CG P48736 13/20 0.70
MTOR P42345 3/20 0.69
PIK3R1 P27986 2/20 0.69
PIK3C2A O00443 1/20 0.69
PLK4 O00444 1/20 0.69
PIK3R2 O00459 1/20 0.69
PIK3C2B O00750 1/20 0.69
GAK O14976 1/20 0.69
EPHB6 O15197 1/20 0.69
DAPK3 O43293 1/20 0.69
STK16 O75716 1/20 0.69
PIK3C2G O75747 1/20 0.69
NTRK1 P04629 1/20 0.69
NQO2 P16083 1/20 0.69
CSNK2A2 P19784 1/20 0.69
JAK1 P23458 1/20 0.69
TYK2 P29597 1/20 0.69

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
SCHEMBL191525 0.91 PIK3CA (0.73) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL19391979 0.88 PIK3CD (0.55) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL8231397 0.86 PIK3CD (0.56) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL19143021 0.86 PIK3CD (0.65) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL19142610 0.86 PIK3CA (0.51) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL16908604 0.84 PIK3CA (0.75) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL190172 0.84 PIK3CA (0.84) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL13070764 0.84 PIK3CA (0.67) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL14902876 0.83 PIK3CA (0.69) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL19142522 0.83 PIK3CA (0.51) PIK3CAPIK3CDPIK3CBPIK3CGMTOR

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-20200360386-A1 Inhibitors of HSP90, PI3-Kinase, Proteasome, HDAC, and P97 Pathways for Selective Removal of Senescent Cells in the Treatment of Age Related Conditions UNITY BIOTECHNOLOGY, INC. 2020-11-19 US disclosed
EP-2766011-B1 TREATMENT OF PHARMACOLOGICAL-INDUCED HYPOCHLORHYDRIA IN CANCER PATIENTS GENENTECH INC (US) 2017-09-27 EP disclosed
US-20160002222-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2016-01-07 US disclosed
US-20160002222-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2016-01-07 US disclosed
US-9073916-B2 Prodrug forms of kinase inhibitors and their use in therapy AUCKLAND UNISERVICES LIMITED (NZ) 2015-07-07 US disclosed
US-9073916-B2 Prodrug forms of kinase inhibitors and their use in therapy AUCKLAND UNISERVICES LIMITED (NZ) 2015-07-07 US disclosed
US-20120077811-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2012-03-29 US disclosed
US-20120077811-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2012-03-29 US 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 (3 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-20120077811-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY NTRK3, TK1, TNNI3K PIK3CA 87/4885PIK3CD 215/4885PIK3CB 250/4885
US-20160002222-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY NTRK3, TK1, TNNI3K PIK3CA 106/4885PIK3CD 153/4885PIK3CB 309/4885
US-20200360386-A1 Inhibitors of HSP90, PI3-Kinase, Proteasome, HDAC, and P97 Pathways for Selective Removal of Senescent Cells in the Treatment of Age Related Conditions HSP90AB1, HSP90AB2P, HSP90AA1 PIK3CA 156/4885PIK3CD 340/4885PIK3CB 302/4885

“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.