SCHEMBL29390926

SCHEMBL29390926

CC(C)(C)n1nc(-c2ccc3ccccc3c2)c2c(N)ncnc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 19/20 1.00
▸ ABL1 P00519 9/20 1.00
▸ PIK3CD O00329 4/20 1.00
▸ PRKDC P78527 4/20 1.00
▸ PIK3CA P42336 3/20 1.00
▸ PIK3CB P42338 3/20 1.00
▸ PIK3CG P48736 3/20 1.00
▸ EGFR P00533 2/20 0.72
▸ KDR P35968 2/20 0.72
▸ MTOR P42345 2/20 0.72
▸ HCK P08631 1/20 0.72
▸ EPHB4 P54760 1/20 0.72
▸ KDM4E B2RXH2 1/20 0.67
▸ PLK4 O00444 1/20 0.67
▸ RIPK2 O43353 1/20 0.67
▸ ROCK2 O75116 1/20 0.67
▸ PRKD3 O94806 1/20 0.67
▸ MAP4K4 O95819 1/20 0.67
▸ ALDH1A1 P00352 1/20 0.67
▸ LMNA P02545 1/20 0.67

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
SCHEMBL1964558 1.00 SRC (1.00) SRCABL1PIK3CDPRKDCPIK3CA
SCHEMBL29390060 1.00 SRC (1.00) SRCABL1PIK3CDPRKDCPIK3CA
SCHEMBL17637855 0.89 SRC (0.80) SRCABL1PIK3CDPRKDCPIK3CA
SCHEMBL14617291 0.87 SRC (1.00) SRCABL1PIK3CDPRKDCPIK3CA
SCHEMBL14617304 0.86 SRC (1.00) SRCABL1PIK3CDPRKDCPIK3CA
SCHEMBL14617301 0.86 SRC (0.89) SRCABL1PIK3CDPRKDCPIK3CA
SCHEMBL14617294 0.85 SRC (1.00) SRCABL1PIK3CDPRKDCPIK3CA
SCHEMBL3610160 0.85 SRC (0.95) SRCABL1PIK3CDPRKDCPIK3CA
SCHEMBL409031 0.84 SRC (1.00) SRCABL1PIK3CDPRKDCPIK3CA
SCHEMBL13845116 0.84 SRC (0.72) SRCABL1PIK3CDPRKDCPIK3CA

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.

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