SCHEMBL9956619

SCHEMBL9956619

Cc1nc(N)ncc1-c1ccnc([S+](C)[O-])n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 4/20 0.36
CDK4 P11802 2/20 0.36
CCNE1 P24864 1/20 0.36
PIK3CA P42336 2/20 0.34
PIK3R1 P27986 1/20 0.34
MTOR P42345 1/20 0.34
ACHE P22303 1/20 0.34
DYRK1A Q13627 3/20 0.33
GSK3B P49841 2/20 0.33
NFATC1 O95644 1/20 0.33
MAP3K14 Q99558 2/20 0.32
FEN1 P39748 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HSP90AA1 P07900 2/20 0.32
HSP90AB1 P08238 1/20 0.32
PTK2 Q05397 1/20 0.32
AURKA O14965 1/20 0.32

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
SCHEMBL9957369 0.81 PIK3CA (0.38) CDK2PIK3CAPIK3R1MTORDYRK1A
SCHEMBL9957630 0.77 PIK3C3 (0.58) PIK3CAADORA2APIK3CDPIK3CGPIK3C3
SCHEMBL9957523 0.75 LMNA (0.51) CDK2CDK4CCNE1PIK3CAPIK3R1
SCHEMBL9956209 0.74 GHSR (0.37) PIK3CAMAPTPIK3CDPIK3CGPIK3C3
SCHEMBL3642814 0.74 CDK2 (0.38) CDK2CDK4CCNE1PIK3CAPIK3R1
SCHEMBL8234099 0.73 DYRK1A (0.35) CDK2DYRK1AGSK3BALDH1A1CDK5
SCHEMBL15653814 0.71 CDK4 (0.50) CDK2CDK4CCNE1DYRK1AGSK3B
SCHEMBL10564099 0.69 NOS3 (0.34) KDM4EHSP90AA1
SCHEMBL9957239 0.69 PIK3C3 (0.64) CDK2CDK4CCNE1PIK3CAAURKA
SCHEMBL23494352 0.67 HTT (0.41) PIK3CAPIK3R1MTORACHEDYRK1A

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 CDK2 2400/4885CDK4 1560/4885CCNE1 3374/4885
US-20130338159-A1 BI-HETEROARYL COMPOUNDS AS VPS34 INHIBITORS VPS35, VPS26B, VPS26A CDK2 2365/4885CDK4 1488/4885CCNE1 3408/4885

“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.