SCHEMBL23854584

SCHEMBL23854584

CC(C)C(O)c1ccnc(Cl)c1NC(=O)OC(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.60
TRPA1 O75762 1/20 0.40
CYP17A1 P05093 1/20 0.38
AAK1 Q2M2I8 8/20 0.37
FPR2 P25090 1/20 0.36
LCK P06239 2/20 0.35
MAPKAPK2 P49137 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
SCHEMBL31026167 1.00 ATR (0.60) ATRTRPA1CYP17A1AAK1FPR2
SCHEMBL22715813 0.90 ATR (0.63) ATRTRPA1CYP17A1AAK1LCK
SCHEMBL29439713 0.90 ATR (0.63) ATRTRPA1CYP17A1AAK1LCK
SCHEMBL18096006 0.88 ATR (0.64) ATRTRPA1CYP17A1AAK1LCK
SCHEMBL22715803 0.81 ATR (0.36) ATRFPR2
SCHEMBL1699175 0.79 ATR (0.69) ATRCYP17A1AAK1LCKMAPKAPK2
SCHEMBL29439800 0.79 ATR (0.73) ATRTRPA1CYP17A1AAK1LCK
SCHEMBL1253908 0.78 ATR (0.67) ATRTRPA1CYP17A1AAK1LCK
SCHEMBL30418941 0.78 ATR (0.67) ATRTRPA1CYP17A1AAK1LCK
SCHEMBL28711988 0.78 ATR (0.60) ATRTRPA1CYP17A1AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12617789-B2 Small molecular inhibitors of NF-κb inducing kinase JANSSEN PHARMACEUTICA NV (BE) 2026-05-05 US 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-11827634-B2 Small molecule inhibitors of NF-kB inducing kinase JANSSEN PHARMACEUTICA NV (BE) 2023-11-28 US 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
US-20210300918-A1 SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2021-09-30 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 (5 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-20210300918-A1 SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE NFKBIA, IKBKB, NFRKB ATR 3552/4885TRPA1 2682/4885CYP17A1 2061/4885
US-20230080834-A1 SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE NFKBIA, IKBKB, NFRKB ATR 3552/4885TRPA1 2682/4885CYP17A1 2061/4885
US-11827634-B2 Small molecule inhibitors of NF-kB inducing kinase NFKBIA, IKBKB, NFRKB ATR 3552/4885TRPA1 2682/4885CYP17A1 2061/4885
US-11254673-B2 Small molecule inhibitors of NF-κB inducing kinase NFKBIA, IKBKB, CHUK ATR 3528/4885TRPA1 2914/4885CYP17A1 1789/4885
US-12617789-B2 Small molecular inhibitors of NF-κb inducing kinase IRAK3, IKBKB, IKBKG ATR 3093/4885TRPA1 2234/4885CYP17A1 1630/4885

“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.