SCHEMBL9957461

SCHEMBL9957461

OC1CCC(Nc2nccc(-c3cncnc3CC3CC3)n2)CC1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 12/20 0.71
PIK3CD O00329 6/20 0.71
PIK3CA P42336 3/20 0.71
PIK3CG P48736 3/20 0.71
PI4KB Q9UBF8 2/20 0.71
MAPK8 P45983 7/20 0.52
MAPK9 P45984 7/20 0.52
MAPK10 P53779 6/20 0.52
MAP2K7 O14733 1/20 0.52
IKBKB O14920 1/20 0.52
MAPK13 O15264 1/20 0.52
CDK2 P24941 1/20 0.52
MAP2K4 P45985 1/20 0.52
MAPKAPK2 P49137 1/20 0.52
GSK3B P49841 1/20 0.52
MAP2K6 P52564 1/20 0.52
MAPK12 P53778 1/20 0.52
MAPK14 Q16539 1/20 0.52
RET P07949 1/20 0.51

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
SCHEMBL15763765 1.00 PIK3C3 (0.71) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL9957886 0.83 PIK3C3 (1.00) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL9956404 0.81 PIK3C3 (0.78) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL9956985 0.80 PIK3C3 (1.00) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL16390656 0.72 PIK3C3 (0.98) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL16390779 0.72 PIK3C3 (0.94) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL10089562 0.72 PIK3C3 (0.83) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL16390922 0.72 PIK3C3 (1.00) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL9957331 0.72 PIK3C3 (0.61) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL15754843 0.72 PIK3C3 (1.00) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB

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-8901147-B2 Bi-heteroaryl compounds as Vps34 inhibitors NOVARTIS AG (CH) 2014-12-02 US disclosed
US-20140155402-A1 BI-HETEROARYL COMPOUNDS AS VPS34 INHIBITORS NOVARTIS AG (CH) 2014-06-05 US disclosed
US-20130338159-A1 BI-HETEROARYL COMPOUNDS AS VPS34 INHIBITORS NOVARTIS AG (CH) 2013-12-19 US disclosed
EP-2655340-A1 BI-HETEROARYL COMPOUNDS AS VPS34 INHIBITORS Novartis AG (CH) 2013-10-30 EP disclosed
WO-2012085815-A1 BI-HETEROARYL COMPOUNDS AS VPS34 INHIBITORS NOVARTIS AG (CH) 2012-06-28 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 (2 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-20140155402-A1 BI-HETEROARYL COMPOUNDS AS VPS34 INHIBITORS VPS35, VPS26B, VPS26A PIK3C3 210/4885PIK3CD 39/4885PIK3CA 114/4885
US-20130338159-A1 BI-HETEROARYL COMPOUNDS AS VPS34 INHIBITORS VPS35, VPS26B, VPS26A PIK3C3 263/4885PIK3CD 36/4885PIK3CA 107/4885

“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.