SCHEMBL9957212

SCHEMBL9957212

Nc1ncc(-c2ccnc(Cl)n2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.49
PIK3R1 P27986 1/20 0.49
PIK3CA P42336 1/20 0.49
PIK3CB P42338 1/20 0.49
KMO O15229 1/20 0.46
HSP90AA1 P07900 2/20 0.44
AURKA O14965 1/20 0.44
PRKACA P17612 1/20 0.44
ADORA2A P29274 1/20 0.44
HSP90AB1 P08238 1/20 0.43
PTK2 Q05397 1/20 0.43
FEN1 P39748 3/20 0.38
MAP4K4 O95819 3/20 0.38
ALOX5AP P20292 2/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA3 P34903 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
SCHEMBL17153246 0.86 GABRA1 (0.39) PIK3CDPIK3R1PIK3CAPIK3CBKMO
SCHEMBL26850881 0.81 PIK3CD (0.52) PIK3CDKMOHSP90AA1AURKAPRKACA
SCHEMBL17601433 0.78 HSP90AA1 (0.41) KMOHSP90AA1AURKAPRKACAADORA2A
SCHEMBL1667688 0.78 KMO (0.47) KMOHSP90AA1AURKAPRKACAADORA2A
SCHEMBL445253 0.77 CYP2A6 (0.47) PIK3CDKMOMAP4K4NPC1RAB9A
SCHEMBL28074555 0.77 GABRA1 (0.46) PIK3CAPIK3CBKMONPC1RAB9A
SCHEMBL18171776 0.76 GABRA1 (0.41) KMOHSP90AA1AURKAPRKACAADORA2A
SCHEMBL29131080 0.76 KMO (0.49) KMOHSP90AA1AURKAPRKACAADORA2A
SCHEMBL31380411 0.76 KMO (0.49) KMOHSP90AA1AURKAPRKACAADORA2A
SCHEMBL442646 0.74 HPGDS (0.42) PIK3CDPIK3CAPIK3CBKMOHSP90AA1

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 PIK3CD 39/4885PIK3R1 32/4885PIK3CA 114/4885
US-20130338159-A1 BI-HETEROARYL COMPOUNDS AS VPS34 INHIBITORS VPS35, VPS26B, VPS26A PIK3CD 36/4885PIK3R1 32/4885PIK3CA 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.