SCHEMBL30387351

SCHEMBL30387351

Nc1ncnc2c1c(-c1ccc3ccccc3c1)nn2C1CCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 16/20 1.00
PIK3CA P42336 16/20 1.00
PIK3CB P42338 16/20 1.00
PIK3CG P48736 16/20 1.00
PRKDC P78527 16/20 1.00
EGFR P00533 17/20 0.77
ABL1 P00519 15/20 0.77
HCK P08631 15/20 0.77
SRC P12931 15/20 0.77
KDR P35968 15/20 0.77
MTOR P42345 15/20 0.77
EPHB4 P54760 15/20 0.77
PI4KB Q9UBF8 7/20 0.72
BTK Q06187 2/20 0.71
LCK P06239 1/20 0.71
LYN P07948 1/20 0.71

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
SCHEMBL19335162 0.86 BTK (0.80) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL19335172 0.84 BTK (0.79) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL19335138 0.84 BTK (0.79) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL22364036 0.84 BTK (0.79) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL2360644 0.84 BTK (0.79) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL14574865 0.84 PIK3CD (1.00) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL30586962 0.83 BTK (1.00) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL6431516 0.83 BTK (1.00) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL19335163 0.83 BTK (0.77) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL1317659 0.83 LCK (0.73) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230111917-A1 KINASE ANTAGONISTS UNIV CALIFORNIA (US) 2023-04-13 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-20230111917-A1 KINASE ANTAGONISTS MTOR, RPS6KA3, AKT3 PIK3CD 12/4885PIK3CA 4/4885PIK3CB 21/4885

“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.