SCHEMBL29390810

SCHEMBL29390810

CC(C)n1nc(-c2ccc3c(c2)CCCO3)c2c(N)ncnc21

nearest known ligand 0.88

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SRC P12931 19/20 0.88
ABL1 P00519 18/20 0.88
PIK3CD O00329 18/20 0.88
PIK3CA P42336 18/20 0.88
PIK3CB P42338 18/20 0.88
PIK3CG P48736 18/20 0.88
PRKDC P78527 17/20 0.88
MTOR P42345 17/20 0.88
EGFR P00533 16/20 0.88
HCK P08631 16/20 0.88
KDR P35968 16/20 0.88
EPHB4 P54760 16/20 0.88
PI4KB Q9UBF8 12/20 0.88
RICTOR Q6R327 1/20 0.57
RPTOR Q8N122 1/20 0.57
PIK3C3 Q8NEB9 1/20 0.57
MAPKAP1 Q9BPZ7 1/20 0.57
MLST8 Q9BVC4 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
SCHEMBL14574614 1.00 SRC (0.88) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL3602713 0.94 SRC (1.00) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL2466712 0.86 SRC (1.00) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL14574692 0.82 SRC (0.87) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL12315 0.80 PIK3CD (0.75) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL14574574 0.76 SRC (0.80) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL1320779 0.75 SRC (0.80) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL14574672 0.74 SRC (1.00) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL3610515 0.74 SRC (1.00) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL129578 0.74 PIK3CD (0.67) SRCABL1PIK3CDPIK3CAPIK3CB

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-11247972-B2 Compositions and methods for treating toxoplasmosis, cryptosporidiosis, and other apicomplexan protozoan related diseases UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2022-02-15 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-11247972-B2 Compositions and methods for treating toxoplasmosis, cryptosporidiosis, and other apicomplexan protozoan related diseases PNCK, TXK, CILK1 SRC 132/4885ABL1 1181/4885PIK3CD 167/4885

“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.