SCHEMBL29390634

SCHEMBL29390634

CC(C)n1nc(-c2cnc3ccccc3c2)c2c(N)ncnc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 20/20 1.00
▸ PIK3CD O00329 18/20 1.00
▸ ABL1 P00519 18/20 1.00
▸ PIK3CA P42336 18/20 1.00
▸ PIK3CB P42338 18/20 1.00
▸ PIK3CG P48736 18/20 1.00
▸ PRKDC P78527 18/20 1.00
▸ EGFR P00533 17/20 1.00
▸ HCK P08631 17/20 1.00
▸ KDR P35968 17/20 1.00
▸ MTOR P42345 17/20 1.00
▸ EPHB4 P54760 17/20 1.00
▸ PI4KB Q9UBF8 4/20 0.74
▸ BACE1 P56817 1/20 0.74

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
SCHEMBL14574639 1.00 SRC (1.00) SRCPIK3CDABL1PIK3CAPIK3CB
SCHEMBL21067895 0.85 SRC (1.00) SRCPIK3CDABL1PIK3CAPIK3CB
SCHEMBL29391405 0.85 SRC (1.00) SRCPIK3CDABL1PIK3CAPIK3CB
SCHEMBL14574867 0.85 SRC (1.00) SRCPIK3CDABL1PIK3CAPIK3CB
SCHEMBL3630418 0.81 SRC (0.76) SRCPIK3CDABL1PIK3CAPIK3CB
SCHEMBL3615741 0.80 SRC (1.00) SRCPIK3CDABL1PIK3CAPIK3CB
SCHEMBL12436456 0.79 SRC (0.76) SRCPIK3CDABL1PIK3CAPIK3CB
SCHEMBL14574603 0.79 SRC (0.76) SRCPIK3CDABL1PIK3CAPIK3CB
SCHEMBL3610356 0.78 SRC (1.00) SRCPIK3CDABL1PIK3CAPIK3CB
SCHEMBL7508684 0.77 SRC (0.78) SRCPIK3CDABL1PIK3CAPIK3CB

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 132/4885PIK3CD 167/4885ABL1 1181/4885

“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.

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