SCHEMBL29439835

SCHEMBL29439835

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

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.78
CYP17A1 P05093 3/20 0.40
NAMPT P43490 2/20 0.39
POLB P06746 1/20 0.39
LCK P06239 3/20 0.39
MAPKAPK2 P49137 2/20 0.37
METAP1 P53582 1/20 0.36
TRPA1 O75762 1/20 0.36
AAK1 Q2M2I8 2/20 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
SCHEMBL22716184 1.00 ATR (0.78) ATRCYP17A1NAMPTPOLBLCK
SCHEMBL18096187 0.89 ATR (0.74) ATRCYP17A1NAMPTPOLBLCK
SCHEMBL29847807 0.89 ATR (0.78) ATRCYP17A1NAMPTPOLBLCK
SCHEMBL16514014 0.89 ATR (0.78) ATRCYP17A1NAMPTPOLBLCK
SCHEMBL17501015 0.88 ATR (1.00) ATRCYP17A1NAMPTPOLBLCK
SCHEMBL29439800 0.85 ATR (0.73) ATRCYP17A1POLBLCKMAPKAPK2
SCHEMBL1699175 0.83 ATR (0.69) ATRCYP17A1POLBLCKMAPKAPK2
SCHEMBL30418941 0.82 ATR (0.67) ATRCYP17A1NAMPTPOLBLCK
SCHEMBL1253908 0.82 ATR (0.67) ATRCYP17A1NAMPTPOLBLCK
SCHEMBL2755109 0.81 ATR (0.66) ATRCYP17A1NAMPTPOLBLCK

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-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
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 (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-20230080834-A1 SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE NFKBIA, IKBKB, NFRKB ATR 3552/4885CYP17A1 2061/4885NAMPT 343/4885
US-11827634-B2 Small molecule inhibitors of NF-kB inducing kinase NFKBIA, IKBKB, NFRKB ATR 3552/4885CYP17A1 2061/4885NAMPT 343/4885
US-11254673-B2 Small molecule inhibitors of NF-κB inducing kinase NFKBIA, IKBKB, CHUK ATR 3528/4885CYP17A1 1789/4885NAMPT 239/4885
US-12617789-B2 Small molecular inhibitors of NF-κb inducing kinase IRAK3, IKBKB, IKBKG ATR 3093/4885CYP17A1 1630/4885NAMPT 2204/4885
US-20240199605-A1 SMALL MOLECULAR INHIBITORS OF NF-kB INDUCING KINASE NFKBIA, IKBKB, IKBKE ATR 3526/4885CYP17A1 2291/4885NAMPT 390/4885

“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.