SCHEMBL29391145

SCHEMBL29391145

CC(C)n1nc(-c2ccc3cc(OCc4ccccc4)ccc3c2)c2c(N)ncnc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 20/20 1.00
▸ ABL1 P00519 12/20 1.00
▸ HCK P08631 2/20 0.76
▸ EGFR P00533 1/20 0.75
▸ LCK P06239 1/20 0.75
▸ EPHA3 P29320 1/20 0.75
▸ CSK P41240 1/20 0.75
▸ PIK3CD O00329 1/20 0.74
▸ PIK3CA P42336 1/20 0.74
▸ PIK3CB P42338 1/20 0.74
▸ PIK3CG P48736 1/20 0.74
▸ PRKDC P78527 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
SCHEMBL14574791 1.00 SRC (1.00) SRCABL1HCKEGFRLCK
SCHEMBL17963679 0.93 SRC (0.86) SRCABL1HCKEGFRLCK
SCHEMBL29390308 0.91 SRC (1.00) SRCABL1HCKEGFRLCK
SCHEMBL14574566 0.91 SRC (1.00) SRCABL1HCKEGFRLCK
SCHEMBL12436444 0.90 SRC (1.00) SRCABL1HCKEGFRLCK
SCHEMBL14574731 0.90 SRC (0.82) SRCABL1HCKEGFRPIK3CD
SCHEMBL12436046 0.90 SRC (1.00) SRCABL1HCKEGFRLCK
SCHEMBL14574643 0.89 SRC (1.00) SRCABL1HCKEGFRLCK
SCHEMBL29389641 0.89 SRC (1.00) SRCABL1HCKEGFRLCK
SCHEMBL29389616 0.88 SRC (1.00) SRCABL1HCKEGFRLCK

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 1181/4885HCK 9/4885

“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.

Send feedback