SCHEMBL13063876

SCHEMBL13063876

Cc1ccc(-c2nn(C3CCCCC3)c3ncnc(N)c23)cc1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.69
LYN P07948 1/20 0.69
BTK Q06187 1/20 0.69
PIK3CD O00329 19/20 0.67
PIK3CA P42336 19/20 0.67
PIK3CB P42338 19/20 0.67
PIK3CG P48736 19/20 0.67
PRKDC P78527 19/20 0.67
ABL1 P00519 18/20 0.67
EGFR P00533 18/20 0.67
HCK P08631 18/20 0.67
SRC P12931 18/20 0.67
KDR P35968 18/20 0.67
MTOR P42345 18/20 0.67
EPHB4 P54760 18/20 0.67
PI4KB Q9UBF8 12/20 0.67

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
SCHEMBL25466299 0.93 BTK (0.80) LCKLYNBTKPIK3CDPIK3CA
SCHEMBL23997156 0.90 LCK (0.71) LCKLYNBTKPIK3CDPIK3CA
SCHEMBL1317659 0.89 LCK (0.73) LCKLYNBTKPIK3CDPIK3CA
SCHEMBL13019673 0.88 PIK3CD (0.71) LCKLYNBTKPIK3CDPIK3CA
SCHEMBL19335172 0.88 BTK (0.79) LCKLYNBTKPIK3CDPIK3CA
SCHEMBL22364036 0.88 BTK (0.79) LCKLYNBTKPIK3CDPIK3CA
SCHEMBL2360644 0.88 BTK (0.79) LCKLYNBTKPIK3CDPIK3CA
SCHEMBL19335138 0.88 BTK (0.79) LCKLYNBTKPIK3CDPIK3CA
SCHEMBL13019694 0.86 PIK3CD (0.72) LCKLYNBTKPIK3CDPIK3CA
SCHEMBL15613465 0.86 PIK3CD (0.72) LCKLYNBTKPIK3CDPIK3CA

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 1 patent. 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

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 LCK 1980/4885LYN 2238/4885BTK 3999/4885

“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.