SCHEMBL9957746

SCHEMBL9957746

Nc1ncc(-c2ccnc(Nc3ccc(F)cc3)n2)c(CC2CC2)n1

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 18/20 0.80
PIK3CD O00329 10/20 0.80
PIK3CA P42336 4/20 0.80
PIK3CG P48736 4/20 0.80
PI4KB Q9UBF8 3/20 0.80
PIP5K1C O60331 1/20 0.48
PIK3CB P42338 1/20 0.48
PI4KA P42356 1/20 0.48
PIK3R4 Q99570 1/20 0.48
PIP5K1A Q99755 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.45
SYK P43405 1/20 0.45

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
SCHEMBL9957844 0.91 PIK3C3 (0.83) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL9956079 0.89 PIK3C3 (1.00) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL15763770 0.89 PIK3C3 (0.83) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL9957057 0.86 PIK3C3 (0.76) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL9956225 0.85 PIK3C3 (0.73) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL9959843 0.81 PIK3C3 (0.67) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL9956410 0.80 PIK3C3 (0.70) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL9957785 0.80 PIK3C3 (0.83) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL9960350 0.80 PIK3C3 (0.65) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL9957087 0.79 CDK2 (0.56) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655340-B1 BI-HETEROARYL COMPOUNDS AS VPS34 INHIBITORS NOVARTIS AG (CH) 2015-01-21 EP disclosed
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.