SCHEMBL23917452

SCHEMBL23917452

Nc1ncnc2c1c(-c1ccc(O)c(O)c1)nn2CCCC1Cc2ccccc2C1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 17/20 0.55
BTK Q06187 6/20 0.55
ATR Q13535 1/20 0.55
PIK3CA P42336 12/20 0.54
PIK3CG P48736 12/20 0.54
PIK3CB P42338 11/20 0.54
PRKDC P78527 11/20 0.54
ABL1 P00519 8/20 0.54
EGFR P00533 8/20 0.54
HCK P08631 8/20 0.54
SRC P12931 8/20 0.54
KDR P35968 8/20 0.54
MTOR P42345 8/20 0.54
EPHB4 P54760 8/20 0.54
PI4KB Q9UBF8 6/20 0.52
FGFR1 P11362 1/20 0.48
FGFR2 P21802 1/20 0.48
FGFR4 P22455 1/20 0.48
FGFR3 P22607 1/20 0.48

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
SCHEMBL23917211 0.82 PIK3CD (0.55) PIK3CDBTKATRPIK3CAPIK3CG
SCHEMBL16655861 0.79 PIK3CD (0.83) PIK3CDBTKATRPIK3CAPIK3CG
SCHEMBL23917484 0.79 PIK3CD (0.50) PIK3CDBTKATRPIK3CAPIK3CG
SCHEMBL16712875 0.77 PIK3CD (0.72) PIK3CDBTKPIK3CAPIK3CGPIK3CB
SCHEMBL16655246 0.76 PIK3CD (0.75) PIK3CDBTKATRPIK3CAPIK3CG
SCHEMBL130637 0.72 PIK3CD (0.81) PIK3CDPIK3CAPIK3CGPIK3CBPRKDC
SCHEMBL23917538 0.72 FYN (0.57) PIK3CDATRPIK3CAPIK3CGPIK3CB
SCHEMBL14086589 0.72 PIK3CD (0.76) PIK3CDBTKPIK3CAPIK3CGPIK3CB
SCHEMBL16665687 0.72 PIK3CD (0.75) PIK3CDBTKATRPIK3CAPIK3CG
SCHEMBL16656048 0.72 PIK3CD (0.75) PIK3CDBTKATRPIK3CAPIK3CG

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-20210317140-A1 Heterocyclic Compounds and Methods of Use MEDIVATION TECHNOLOGIES, INC. (US) 2021-10-14 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-20210317140-A1 Heterocyclic Compounds and Methods of Use BTK, PIK3CD, PIK3CB PIK3CD 2/4885BTK 1/4885ATR 680/4885

“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.