SCHEMBL10092302

SCHEMBL10092302

Oc1cccc(-c2nc(N3CCOCC3)c3sc4ncccc4c3n2)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.78
PIK3CG P48736 7/20 0.67
MTOR P42345 6/20 0.67
PIK3CD O00329 4/20 0.67
PIK3CB P42338 4/20 0.66
PIK3C2B O00750 4/20 0.66
PIK3C2A O00443 2/20 0.66
PIK3R1 P27986 2/20 0.66
PRKDC P78527 2/20 0.66
PIK3C3 Q8NEB9 2/20 0.66
CHUK O15111 1/20 0.66
DAPK3 O43293 1/20 0.66
PIK3C2G O75747 1/20 0.66
RAF1 P04049 1/20 0.66
BRAF P15056 1/20 0.66
CSNK2A2 P19784 1/20 0.66
JAK1 P23458 1/20 0.66
TYK2 P29597 1/20 0.66
FLT3 P36888 1/20 0.66
CLK1 P49759 1/20 0.66

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
SCHEMBL15374745 0.88 PIK3CA (0.78) PIK3CAPIK3CGMTORPIK3CDPIK3CB
SCHEMBL1311652 0.80 PIK3CA (0.74) PIK3CAPIK3CGMTORPIK3CDPIK3CB
Pi-103 SCHEMBL29676244 0.79 PIK3CA (1.00) PIK3CAPIK3CGMTORPIK3CDPIK3CB
Pi-103 SCHEMBL29929906 0.79 PIK3CA (1.00) PIK3CAPIK3CGMTORPIK3CDPIK3CB
Pi-103 SCHEMBL258242 0.79 PIK3CA (1.00) PIK3CAPIK3CGMTORPIK3CDPIK3CB
Pi-103 SCHEMBL29352781 0.79 PIK3CA (1.00) PIK3CAPIK3CGMTORPIK3CDPIK3CB
Pi-103 SCHEMBL30387212 0.79 PIK3CA (1.00) PIK3CAPIK3CGMTORPIK3CDPIK3CB
Pi-103 SCHEMBL29527390 0.78 PIK3CA (1.00) PIK3CAPIK3CGMTORPIK3CDPIK3CB
SCHEMBL258574 0.78 PIK3CA (1.00) PIK3CAPIK3CGMTORPIK3CDPIK3CB
SCHEMBL1164956 0.78 PIK3CA (0.71) PIK3CAPIK3CGMTORPIK3CDPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130296316-A1 Antiparasitic Agents Based On mTOR Inhibitors POLLASTRI MICHAEL P (US) 2013-11-07 US disclosed
WO-2012006619-A2 ANTIPARASITIC AGENTS BASED ON mTOR INHIBITORS NORTHEASTERN UNIVERSITY (US) 2012-01-12 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-20130296316-A1 Antiparasitic Agents Based On mTOR Inhibitors MTOR, PIK3CD, PIK3C3 PIK3CA 17/4885PIK3CG 4/4885MTOR 1/4885

“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.