SCHEMBL29439697

SCHEMBL29439697

CC(C)(C)OC(=O)Nc1c(C=O)ccnc1Cl

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.66
CYP17A1 P05093 2/20 0.40
LCK P06239 4/20 0.39
MAPKAPK2 P49137 2/20 0.37
POLB P06746 1/20 0.36
NAMPT P43490 1/20 0.36
METAP1 P53582 1/20 0.36
MAP4K4 O95819 1/20 0.36
TRPA1 O75762 1/20 0.36
AAK1 Q2M2I8 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2B P29275 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL2755109 1.00 ATR (0.66) ATRCYP17A1LCKMAPKAPK2POLB
SCHEMBL29950660 0.84 ATR (0.53) ATRCYP17A1LCKNAMPTMETAP1
SCHEMBL1724391 0.84 ATR (0.53) ATRCYP17A1LCKNAMPTMETAP1
SCHEMBL1699175 0.83 ATR (0.69) ATRCYP17A1LCKMAPKAPK2POLB
SCHEMBL30418941 0.82 ATR (0.67) ATRCYP17A1LCKMAPKAPK2POLB
SCHEMBL1253908 0.82 ATR (0.67) ATRCYP17A1LCKMAPKAPK2POLB
SCHEMBL22716184 0.81 ATR (0.78) ATRCYP17A1LCKMAPKAPK2POLB
SCHEMBL29847807 0.81 ATR (0.78) ATRCYP17A1LCKMAPKAPK2POLB
SCHEMBL29439835 0.81 ATR (0.78) ATRCYP17A1LCKMAPKAPK2POLB
SCHEMBL16514014 0.81 ATR (0.78) ATRCYP17A1LCKMAPKAPK2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260124198-A1 ANTIVIRAL PYRAZOLOPYRIDINONE COMPOUNDS GILEAD SCIENCES INC (US) 2026-05-07 US disclosed
US-12617789-B2 Small molecular inhibitors of NF-κb inducing kinase JANSSEN PHARMACEUTICA NV (BE) 2026-05-05 US disclosed
EP-4479388-A1 ANTIVIRAL NAPHTHYRIDINONE COMPOUNDS Gilead Sciences, Inc. (US) 2024-12-25 EP disclosed
EP-4467199-A2 SMALL MOLECULE INHIBITORS OF NF-KB INDUCING KINASE JANSSEN Pharmaceutica NV (BE) 2024-11-27 EP disclosed
EP-3976597-B1 SMALL MOLECULE INHIBITORS OF NF-KB INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2024-08-28 EP disclosed
US-20240199605-A1 SMALL MOLECULAR INHIBITORS OF NF-kB INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2024-06-20 US disclosed
US-11827634-B2 Small molecule inhibitors of NF-kB inducing kinase JANSSEN PHARMACEUTICA NV (BE) 2023-11-28 US disclosed
WO-2023154905-A1 ANTIVIRAL PYRAZOLOPYRIDINONE COMPOUNDS GILEAD SCIENCES, INC. (US) 2023-08-17 WO disclosed
US-20230080834-A1 SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2023-03-16 US disclosed
EP-3976597-A1 SMALL MOLECULE INHIBITORS OF NF-KB INDUCING KINASE Janssen Pharmaceutica NV (BE) 2022-04-06 EP disclosed
US-11254673-B2 Small molecule inhibitors of NF-κB inducing kinase JANSSEN PHARMACEUTICA NV (BE) 2022-02-22 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 (6 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-20260124198-A1 ANTIVIRAL PYRAZOLOPYRIDINONE COMPOUNDS ZC3HAV1, CCR1, CCR6 ATR 1482/4885CYP17A1 2267/4885LCK 483/4885
US-20230080834-A1 SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE NFKBIA, IKBKB, NFRKB ATR 3552/4885CYP17A1 2061/4885LCK 107/4885
US-11827634-B2 Small molecule inhibitors of NF-kB inducing kinase NFKBIA, IKBKB, NFRKB ATR 3552/4885CYP17A1 2061/4885LCK 107/4885
US-11254673-B2 Small molecule inhibitors of NF-κB inducing kinase NFKBIA, IKBKB, CHUK ATR 3528/4885CYP17A1 1789/4885LCK 75/4885
US-12617789-B2 Small molecular inhibitors of NF-κb inducing kinase IRAK3, IKBKB, IKBKG ATR 3093/4885CYP17A1 1630/4885LCK 141/4885
US-20240199605-A1 SMALL MOLECULAR INHIBITORS OF NF-kB INDUCING KINASE NFKBIA, IKBKB, IKBKE ATR 3526/4885CYP17A1 2291/4885LCK 94/4885

“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.