SCHEMBL13019685

SCHEMBL13019685

Nc1ncnc2c1c(-c1ccc(Cl)cc1)nn2Cc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.73
PIK3CA P42336 2/20 0.73
PIK3CB P42338 2/20 0.73
PIK3CG P48736 2/20 0.73
PRKDC P78527 2/20 0.73
CYP1A2 P05177 2/20 0.70
MEN1 O00255 1/20 0.70
MAPK1 P28482 1/20 0.70
KMT2A Q03164 1/20 0.70
TDP1 Q9NUW8 1/20 0.70
FYN P06241 9/20 0.70
LYN P07948 3/20 0.70
BLK P51451 3/20 0.70
SRC P12931 2/20 0.70
BTK Q06187 5/20 0.69
ABL1 P00519 2/20 0.59
LCK P06239 2/20 0.58
YES1 P07947 2/20 0.58
FGR P09769 2/20 0.58
DAPK3 O43293 1/20 0.57

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
SCHEMBL28416537 0.90 BTK (0.86) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL13019984 0.89 PIK3CD (0.72) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL13840179 0.89 PIK3CD (0.71) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL28407363 0.87 BTK (0.89) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL30277454 0.85 BTK (0.69) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL30387188 0.84 PIK3CD (1.00) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL28414570 0.84 BTK (0.82) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL13019687 0.83 CYP1A2 (0.75) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL13019782 0.82 CYP1A2 (1.00) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL17726068 0.82 FYN (1.00) 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 2 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

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-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.