SCHEMBL29388020

SCHEMBL29388020

CCN1CCC(CCn2nc(Cc3cccc4ccccc34)c3c(N)ncnc32)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 16/20 1.00
▸ ABL1 P00519 5/20 0.72
▸ PRKD3 O94806 2/20 0.58
▸ PRKD1 Q15139 2/20 0.58
▸ PRKD2 Q9BZL6 2/20 0.58
▸ FYN P06241 2/20 0.58
▸ RIPK2 O43353 1/20 0.58
▸ PRKACA P17612 1/20 0.58
▸ CDK2 P24941 1/20 0.58
▸ CSK P41240 1/20 0.58
▸ MAPK8 P45983 1/20 0.58
▸ CSNK1A1 P48729 1/20 0.58
▸ CSNK1E P49674 1/20 0.58
▸ MAPK14 Q16539 1/20 0.58
▸ CDK12 Q9NYV4 1/20 0.58
▸ CAMK2A Q9UQM7 1/20 0.58
▸ HCK P08631 1/20 0.55
▸ YES1 P07947 1/20 0.42
▸ FGR P09769 1/20 0.42
▸ TGFBR1 P36897 1/20 0.42

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
SCHEMBL12436001 1.00 SRC (1.00) SRCABL1PRKD3PRKD1PRKD2
SCHEMBL29390032 0.91 SRC (0.84) SRCABL1PRKD3PRKD1PRKD2
SCHEMBL12435988 0.91 SRC (0.84) SRCABL1PRKD3PRKD1PRKD2
SCHEMBL29390285 0.87 SRC (0.77) SRCABL1PRKD3PRKD1PRKD2
SCHEMBL12436004 0.87 SRC (0.77) SRCABL1PRKD3PRKD1PRKD2
SCHEMBL12435986 0.87 SRC (0.77) SRCABL1PRKD3PRKD1PRKD2
SCHEMBL29390927 0.87 SRC (0.77) SRCABL1PRKD3PRKD1PRKD2
SCHEMBL12437016 0.86 SRC (0.76) SRCABL1PRKD3PRKD1PRKD2
SCHEMBL29391115 0.86 SRC (0.76) SRCABL1PRKD3PRKD1PRKD2
SCHEMBL22224632 0.86 SRC (0.76) SRCABL1PRKD3PRKD1PRKD2

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 1181/4885PRKD3 58/4885

“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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