SCHEMBL13019691

SCHEMBL13019691

Nc1ncnc2c1c(-c1ccc(Cl)cc1)nn2C1CCC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 18/20 0.72
PIK3CA P42336 18/20 0.72
PIK3CB P42338 18/20 0.72
PIK3CG P48736 18/20 0.72
PRKDC P78527 18/20 0.72
ABL1 P00519 18/20 0.72
EGFR P00533 18/20 0.72
HCK P08631 18/20 0.72
SRC P12931 18/20 0.72
KDR P35968 18/20 0.72
MTOR P42345 17/20 0.72
EPHB4 P54760 17/20 0.72
PI4KB Q9UBF8 8/20 0.69
LCK P06239 2/20 0.67
LYN P07948 2/20 0.67
BTK Q06187 2/20 0.67
DAPK3 O43293 1/20 0.60
RIPK2 O43353 1/20 0.60
CYP1A2 P05177 1/20 0.60
FYN P06241 1/20 0.60

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
SCHEMBL13019694 0.97 PIK3CD (0.72) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL13019673 0.96 PIK3CD (0.71) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL23997152 0.90 LCK (0.69) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL13020215 0.89 ABL1 (0.68) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL13020162 0.89 SRC (0.62) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL13020181 0.88 BTK (0.72) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL1317659 0.87 LCK (0.73) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL19335163 0.87 BTK (0.77) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL13020213 0.86 PIK3CD (0.69) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL23997156 0.86 LCK (0.71) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-30 US disclosed
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-30 US disclosed
US-20100273776-A1 INHIBITION OF ALPHA-SYNUCLEIN TOXICITY FOLDRx PHARMACEUTICALS, INC (US) 2010-10-28 US disclosed
WO-2009062118-A2 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2009-05-14 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-20100273776-A1 INHIBITION OF ALPHA-SYNUCLEIN TOXICITY SNCA, PARK7, PINK1 PIK3CD 3362/4885PIK3CA 4331/4885PIK3CB 2493/4885
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING RAB1A, COPB1, GOLT1B PIK3CD 2217/4885PIK3CA 3103/4885PIK3CB 1964/4885

“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.