SCHEMBL4347474

SCHEMBL4347474

CNC(=O)c1cnc(N[C@H]2CCCN(C(=O)O)C2)c2cc(-c3ccccc3)sc12

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 19/20 0.68
▸ KCNH2 Q12809 5/20 0.56
▸ JAK2 O60674 1/20 0.55
▸ JAK1 P23458 1/20 0.55
▸ TYK2 P29597 1/20 0.55
▸ JAK3 P52333 1/20 0.55

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
SCHEMBL4340494 0.86 CHEK1 (0.59) CHEK1KCNH2
SCHEMBL3075706 0.83 CHEK1 (0.59) CHEK1KCNH2JAK2JAK3
SCHEMBL4349296 0.83 CHEK1 (0.80) CHEK1KCNH2
SCHEMBL4349325 0.82 CHEK1 (0.64) CHEK1KCNH2
SCHEMBL4347178 0.81 CHEK1 (1.00) CHEK1KCNH2
SCHEMBL3079109 0.74 CHEK1 (0.53) CHEK1KCNH2JAK2JAK3
SCHEMBL4348134 0.73 CHEK1 (0.48) CHEK1KCNH2
SCHEMBL4357649 0.73 CHEK1 (0.47) CHEK1KCNH2
SCHEMBL4342847 0.72 CHEK1 (0.47) CHEK1KCNH2
SCHEMBL3070314 0.72 CHEK1 (1.00) CHEK1KCNH2

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-20090275570-A1 SUBSTITUTED HETEROCYCLES AND THEIR USE AS CHK1, PDK1 AND PAK INHIBITORS ASTRAZENECA AB (SE) 2009-11-05 — — 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-20090275570-A1 SUBSTITUTED HETEROCYCLES AND THEIR USE AS CHK1, PDK1 AND PAK INHIBITORS CHEK1, PDK1, CHEK2 CHEK1 1/4885KCNH2 3112/4885JAK2 1891/4885

“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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