SCHEMBL5035520

SCHEMBL5035520

CC(C)(C)OC(=O)N1CCC(n2ncc3c(C(N)=O)cc(-c4ccccc4)cc32)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 4/20 0.54
▸ NR3C1 P04150 2/20 0.48
▸ USP30 Q70CQ3 4/20 0.47
▸ PIK3CA P42336 1/20 0.47
▸ MTOR P42345 1/20 0.47
▸ PIK3CG P48736 1/20 0.47
▸ ATR Q13535 1/20 0.47
▸ AURKB Q96GD4 1/20 0.47
▸ JAK2 O60674 1/20 0.46
▸ JAK1 P23458 1/20 0.46
▸ POLB P06746 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ KIT P10721 1/20 0.44
▸ IRAK4 Q9NWZ3 1/20 0.44
▸ HPGDS O60760 1/20 0.44

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
SCHEMBL3956002 0.93 GPR119 (0.55) GPR119NR3C1USP30PIK3CAMTOR
SCHEMBL3955027 0.91 GPR119 (0.54) GPR119NR3C1USP30PIK3CAMTOR
SCHEMBL5034318 0.89 USP30 (0.50) GPR119USP30PIK3CAPIK3CGJAK2
SCHEMBL14048942 0.86 JAK1 (0.42) GPR119PIK3CAMTORJAK2JAK1
SCHEMBL3959085 0.84 JAK1 (0.45) MTORJAK2JAK1CYP3A4
SCHEMBL3948591 0.84 PIK3CA (0.48) PIK3CAMTORJAK2JAK1
SCHEMBL3946682 0.82 USP30 (0.51) GPR119USP30PIK3CAPIK3CGJAK1
SCHEMBL3957427 0.82 JAK1 (0.44) NR3C1JAK2JAK1CYP3A4
SCHEMBL3949881 0.81 IKBKB (0.50) JAK2JAK1CYP3A4
SCHEMBL3950327 0.81 USP30 (0.49) GPR119USP30PIK3CAPIK3CGJAK1

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-20080262040-A1 novel indazole carboxamide derivatives for inflammatory and tissue repair disorders like rheumatoid arthritis, asthma, and COPD; kinase inhibitors in particular IKK2; 1,1-dimethylethyl-4-[4-(aminocarbonyl)-6-phenyl-1H-indazol-1-yl]-1-piperidinecarboxylate; intermediates SMITHKLINE BEECHAM CORPORATION 2008-10-23 — — US claimed
US-20080262040-A1 novel indazole carboxamide derivatives for inflammatory and tissue repair disorders like rheumatoid arthritis, asthma, and COPD; kinase inhibitors in particular IKK2; 1,1-dimethylethyl-4-[4-(aminocarbonyl)-6-phenyl-1H-indazol-1-yl]-1-piperidinecarboxylate; intermediates SMITHKLINE BEECHAM CORPORATION 2008-10-23 — — US disclosed
US-20080262040-A1 novel indazole carboxamide derivatives for inflammatory and tissue repair disorders like rheumatoid arthritis, asthma, and COPD; kinase inhibitors in particular IKK2; 1,1-dimethylethyl-4-[4-(aminocarbonyl)-6-phenyl-1H-indazol-1-yl]-1-piperidinecarboxylate; intermediates SMITHKLINE BEECHAM CORPORATION 2008-10-23 — — US disclosed
WO-2007102883-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-09-13 — — 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-20080262040-A1 novel indazole carboxamide derivatives for inflammatory and tissue repair disorders like rheumatoid arthritis, asthma, and COPD; kinase inhibitors in particular IKK2; 1,1-dimethylethyl-4-[4-(aminocarbonyl)-6-phenyl-1H-indazol-1-yl]-1-piperidinecarboxylate; intermediates IRAK2, NFKBIA, IRAK1 GPR119 1844/4885NR3C1 675/4885USP30 809/4885

“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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