SCHEMBL10089583

SCHEMBL10089583

Nc1ncc(-c2ccnc(Nc3ccncc3)n2)c(C(F)(F)F)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 9/20 0.61
PIK3CD O00329 8/20 0.61
PIK3CA P42336 2/20 0.61
PIK3CG P48736 2/20 0.61
PI4KB Q9UBF8 1/20 0.61
SYK P43405 1/20 0.44
CDK2 P24941 3/20 0.44
GSK3B P49841 1/20 0.44
ABL1 P00519 4/20 0.43
BCR P11274 3/20 0.43
SRC P12931 2/20 0.43
CAMK2D Q13557 1/20 0.43
SCN9A Q15858 2/20 0.43
KCNH2 Q12809 1/20 0.43
EGFR P00533 2/20 0.41
PRKCA P17252 2/20 0.41
PRKCD Q05655 1/20 0.41
CCNT1 O60563 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41

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
SCHEMBL15763771 0.90 PIK3C3 (0.50) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL9957239 0.82 PIK3C3 (0.64) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL15765721 0.81 PIK3C3 (0.73) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL9957034 0.79 PIK3C3 (0.68) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL9957829 0.79 PIK3C3 (0.73) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL9956079 0.76 PIK3C3 (1.00) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL9957087 0.72 CDK2 (0.56) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL9958006 0.72 PIK3C3 (0.63) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL10327708 0.71 PIK3CA (0.74) PIK3C3PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL25337325 0.71 SYK (0.57) SYKCDK2GSK3BSCN9AKCNH2

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
EP-2655340-B1 BI-HETEROARYL COMPOUNDS AS VPS34 INHIBITORS NOVARTIS AG (CH) 2015-01-21 EP claimed
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
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 (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-20140155402-A1 BI-HETEROARYL COMPOUNDS AS VPS34 INHIBITORS VPS35, VPS26B, VPS26A PIK3C3 210/4885PIK3CD 39/4885PIK3CA 114/4885

“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.