SCHEMBL4354913

SCHEMBL4354913

CC(C)(C)OC(=O)N1CCCC(Nc2ncc(C#N)c3sc(Br)cc23)C1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 10/20 0.49
▸ IRAK4 Q9NWZ3 1/20 0.42
▸ CHEK1 O14757 1/20 0.42
▸ NSD2 O96028 1/20 0.41
▸ GPR119 Q8TDV5 2/20 0.41
▸ PIK3CA P42336 2/20 0.40
▸ PIK3CB P42338 2/20 0.40
▸ PIK3CG P48736 2/20 0.40
▸ JAK3 P52333 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ PBK Q96KB5 1/20 0.40
▸ USP30 Q70CQ3 1/20 0.40

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
SCHEMBL3070658 0.87 CHEK1 (0.46) PIK3CDCHEK1PIK3CAPIK3CBPIK3CG
SCHEMBL4350029 0.86 PIK3CD (0.49) PIK3CDIRAK4CHEK1GPR119PIK3CA
SCHEMBL4342337 0.81 CHEK1 (0.48) PIK3CDCHEK1
SCHEMBL31226963 0.80 PIK3CD (0.47) PIK3CDIRAK4PIK3CAJAK3PBK
SCHEMBL3069620 0.80 JAK3 (0.44) PIK3CDCHEK1PIK3CAPIK3CBPIK3CG
SCHEMBL4349670 0.78 CHEK1 (0.46) PIK3CDCHEK1PIK3CAPIK3CBPIK3CG
SCHEMBL20583169 0.77 MEN1 (0.44) PIK3CDGPR119JAK3MEN1ALDH1A1
SCHEMBL14543510 0.77 CHEK1 (0.48) CHEK1NSD2ALDH1A1
SCHEMBL4350214 0.76 JAK3 (0.44) PIK3CDCHEK1PIK3CAPIK3CBPIK3CG
SCHEMBL29017076 0.75 PIK3CD (0.56) PIK3CDPIK3CAPIK3CBPIK3CG

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 3 patents. 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
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 (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 218/4885IRAK4 1534/4885CHEK1 1/4885

“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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