SCHEMBL3075706

SCHEMBL3075706

N#Cc1cnc(N[C@H]2CCCN(C(=O)O)C2)c2cc(-c3ccccc3)sc12

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 15/20 0.59
▸ KCNH2 Q12809 4/20 0.51
▸ PIK3CD O00329 3/20 0.44
▸ JAK3 P52333 2/20 0.43
▸ JAK2 O60674 1/20 0.43
▸ PIK3CA P42336 1/20 0.43

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
SCHEMBL4357649 0.88 CHEK1 (0.47) CHEK1KCNH2PIK3CD
SCHEMBL3079109 0.87 CHEK1 (0.53) CHEK1KCNH2PIK3CDJAK3JAK2
SCHEMBL4349145 0.86 CHEK1 (0.69) CHEK1KCNH2
SCHEMBL4342574 0.86 CHEK1 (0.45) CHEK1PIK3CDJAK3JAK2PIK3CA
SCHEMBL3070658 0.85 CHEK1 (0.46) CHEK1PIK3CDJAK3JAK2PIK3CA
SCHEMBL4349670 0.85 CHEK1 (0.46) CHEK1PIK3CDJAK3JAK2PIK3CA
SCHEMBL4350214 0.85 JAK3 (0.44) CHEK1PIK3CDJAK3JAK2PIK3CA
SCHEMBL4342847 0.85 CHEK1 (0.47) CHEK1KCNH2PIK3CDPIK3CA
SCHEMBL4348134 0.84 CHEK1 (0.48) CHEK1KCNH2PIK3CDPIK3CA
SCHEMBL4347474 0.83 CHEK1 (0.68) CHEK1KCNH2JAK3JAK2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100226917-A1 METHODS FOR THE TREATMENT OF HEMATOLOGIC MALIGNANCIES ASTRAZENECA AB (SE) 2010-09-09 — — US disclosed
US-20090275570-A1 SUBSTITUTED HETEROCYCLES AND THEIR USE AS CHK1, PDK1 AND PAK INHIBITORS ASTRAZENECA AB (SE) 2009-11-05 — — US disclosed
EP-1869052-A1 SUBSTITUTED HETEROCYCLES AND THEIR USE AS CHK1, PDK1 AND PAK INHIBITORS AstraZeneca AB (SE) 2007-12-26 — — EP disclosed
WO-2006106326-A1 SUBSTITUTED HETEROCYCLES AND THEIR USE AS CHK1, PDK1 AND PAK INHIBITORS ASTRAZENECA AB (SE) 2006-10-12 — — WO 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 (2 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 3112/4885PIK3CD 218/4885
US-20100226917-A1 METHODS FOR THE TREATMENT OF HEMATOLOGIC MALIGNANCIES CHEK1, CHEK2, MCL1 CHEK1 1/4885KCNH2 2899/4885PIK3CD 639/4885

“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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