SCHEMBL4341481

SCHEMBL4341481

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

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 13/20 0.41
▸ PIK3CA P42336 9/20 0.41
▸ PIK3CB P42338 2/20 0.39
▸ PIK3CG P48736 2/20 0.39
▸ JAK3 P52333 5/20 0.36
▸ BTK Q06187 3/20 0.36
▸ JAK2 O60674 1/20 0.35
▸ CHEK1 O14757 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34

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
SCHEMBL4355022 0.85 CHEK1 (0.50) PIK3CDPIK3CAPIK3CBPIK3CGJAK3
SCHEMBL3070658 0.79 CHEK1 (0.46) PIK3CDPIK3CAPIK3CBPIK3CGJAK3
SCHEMBL4353898 0.79 GSK3B (0.41) JAK3BTKJAK2CHEK1KCNH2
SCHEMBL3069620 0.76 JAK3 (0.44) PIK3CDPIK3CAPIK3CBPIK3CGJAK3
SCHEMBL25298562 0.71 HSD11B1 (0.40) PIK3CDJAK3BTKJAK2
SCHEMBL25245764 0.71 HSD11B1 (0.40) PIK3CDJAK3BTKJAK2
SCHEMBL4354913 0.69 PIK3CD (0.49) PIK3CDPIK3CAPIK3CBPIK3CGJAK3
SCHEMBL4349670 0.68 CHEK1 (0.46) PIK3CDPIK3CAPIK3CBPIK3CGJAK3
SCHEMBL4350214 0.68 JAK3 (0.44) PIK3CDPIK3CAPIK3CBPIK3CGJAK3
SCHEMBL2317595 0.68 PTPN11 (0.39) PIK3CDJAK3BTKJAK2

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 PIK3CD 218/4885PIK3CA 150/4885PIK3CB 207/4885

“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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