SCHEMBL9957331

SCHEMBL9957331

CSc1nccc(-c2cncnc2CC2CC2)n1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 17/20 0.61
PIK3CD O00329 9/20 0.44
PIK3CA P42336 3/20 0.44
PIK3CG P48736 3/20 0.44
PI4KB Q9UBF8 2/20 0.42
LMNA P02545 1/20 0.40
CCNT1 O60563 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CDK9 P50750 1/20 0.39
CCNA1 P78396 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36

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
SCHEMBL9957402 0.81 PIK3C3 (0.60) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL9957583 0.80 PIK3C3 (0.66) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL9956197 0.78 PIK3C3 (0.58) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL18480298 0.77 LMNA (0.40) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL9956985 0.76 PIK3C3 (1.00) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL18438753 0.75 CCNA2 (0.41) PIK3C3PIK3CDPIK3CAPIK3CGLMNA
SCHEMBL21811071 0.74 LMNA (0.54) PIK3CALMNACCNT1CCNA2CDK2
SCHEMBL18480302 0.74 CDK9 (0.41) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL18480084 0.74 LMNA (0.38) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL9957504 0.74 PIK3C3 (0.74) 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 12 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
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-8901147-B2 Bi-heteroaryl compounds as Vps34 inhibitors NOVARTIS AG (CH) 2014-12-02 US 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-20140155402-A1 BI-HETEROARYL COMPOUNDS AS VPS34 INHIBITORS NOVARTIS AG (CH) 2014-06-05 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
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.