SCHEMBL9956911

SCHEMBL9956911

Nc1ncc(-c2ccnc(Nc3ccc(F)cc3)n2)cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.57
PIK3CG P48736 2/20 0.57
PIK3CB P42338 1/20 0.57
SYK P43405 1/20 0.56
MEN1 O00255 1/20 0.55
NPC1 O15118 1/20 0.55
LMNA P02545 1/20 0.55
MAPT P10636 1/20 0.55
ALOX12 P18054 1/20 0.55
MAPK1 P28482 1/20 0.55
RAB9A P51151 1/20 0.55
KMT2A Q03164 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.54
KCNH2 Q12809 1/20 0.53
SCN5A Q14524 1/20 0.53
SCN9A Q15858 1/20 0.53
CDK2 P24941 5/20 0.52
EIF2AK2 P19525 2/20 0.49
ABL1 P00519 4/20 0.49
CDK4 P11802 3/20 0.49

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
SCHEMBL7467852 0.81 PIK3CA (0.65) PIK3CAPIK3CGPIK3CBSYKMEN1
SCHEMBL9957087 0.80 CDK2 (0.56) PIK3CAPIK3CGPIK3CBSYKMEN1
SCHEMBL7461475 0.80 ABL1 (0.76) PIK3CAPIK3CGPIK3CBSYKMEN1
SCHEMBL4737495 0.80 PLK1 (0.77) PIK3CAPIK3CGPIK3CBSYKMEN1
SCHEMBL27119203 0.77 AURKA (0.63) LMNAMAPTCDK2ABL1CDK4
SCHEMBL7470657 0.76 IKBKB (0.67) PIK3CAPIK3CGPIK3CBSYKMEN1
SCHEMBL23281915 0.76 JAK2 (0.59) MAPK1ABL1BCREGFRSRC
SCHEMBL9957746 0.75 PIK3C3 (0.80) PIK3CAPIK3CGPIK3CBSYKSMN1; SMN2
SCHEMBL7464407 0.74 SYK (0.59) PIK3CAPIK3CGPIK3CBSYKMEN1
SCHEMBL13440366 0.73 PIK3CA (0.66) PIK3CAPIK3CGPIK3CBKCNH2CDK2

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 10 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-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 PIK3CA 114/4885PIK3CG 132/4885PIK3CB 33/4885
US-20130338159-A1 BI-HETEROARYL COMPOUNDS AS VPS34 INHIBITORS VPS35, VPS26B, VPS26A PIK3CA 107/4885PIK3CG 129/4885PIK3CB 33/4885

“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.