SCHEMBL22715880

SCHEMBL22715880

Nc1c(C=O)cc(Br)nc1Cl

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
ERN1 O75460 2/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
MPI P34949 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.31
HTR6 P50406 1/20 0.30

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
SCHEMBL24402966 0.80 CYP1A2 (0.38) CYP1A2CYP3A4CYP2D6CYP2C19ERN1
SCHEMBL4596400 0.77 TDP1 (0.34) MEN1KMT2ATDP1HTR6
SCHEMBL31368717 0.77 CYP1A2 (0.36) CYP1A2CYP3A4CYP2D6CYP2C19ERN1
SCHEMBL22715116 0.77 CYP1A2 (0.43) CYP1A2CYP3A4CYP2D6CYP2C19ERN1
SCHEMBL31368716 0.77 CYP1A2 (0.36) CYP1A2CYP3A4CYP2D6CYP2C19ERN1
SCHEMBL30518916 0.77 CYP1A2 (0.43) CYP1A2CYP3A4CYP2D6CYP2C19ERN1
SCHEMBL4663299 0.74 ALDH1A1 (0.42) CYP3A4ALDH1A1MEN1MAPTKMT2A
SCHEMBL29759333 0.74 ALDH1A1 (0.42) CYP3A4ALDH1A1MEN1MAPTKMT2A
SCHEMBL31709596 0.73 HTT (0.36) ALDH1A1KDM4EMAPTKMT2ASMN1; SMN2
SCHEMBL1868968 0.73 GAA (0.40) MEN1MAPTKMT2ATDP1HTR6

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 13 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
CN-118908957-A Small molecule inhibitors of NF- κB induced kinase 詹森药业有限公司 2024-11-08 CN disclosed
EP-3976597-B1 SMALL MOLECULE INHIBITORS OF NF-KB INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2024-08-28 EP disclosed
CN-114222737-B Small molecule inhibitors of NF- κB induced kinase 詹森药业有限公司 2024-07-26 CN 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
CN-114222737-A Small molecule inhibitor of NF-kB induced kinase 詹森药业有限公司 2022-03-22 CN 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
WO-2020239999-A1 SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2020-12-03 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 (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-20210300918-A1 SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE NFKBIA, IKBKB, NFRKB CYP1A2 3969/4885CYP3A4 3993/4885CYP2D6 4163/4885
US-20230080834-A1 SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE NFKBIA, IKBKB, NFRKB CYP1A2 3969/4885CYP3A4 3993/4885CYP2D6 4163/4885
US-11827634-B2 Small molecule inhibitors of NF-kB inducing kinase NFKBIA, IKBKB, NFRKB CYP1A2 3969/4885CYP3A4 3993/4885CYP2D6 4163/4885
US-11254673-B2 Small molecule inhibitors of NF-κB inducing kinase NFKBIA, IKBKB, CHUK CYP1A2 4056/4885CYP3A4 4147/4885CYP2D6 4259/4885
US-12617789-B2 Small molecular inhibitors of NF-κb inducing kinase IRAK3, IKBKB, IKBKG CYP1A2 4708/4885CYP3A4 4654/4885CYP2D6 4440/4885
US-20240199605-A1 SMALL MOLECULAR INHIBITORS OF NF-kB INDUCING KINASE NFKBIA, IKBKB, IKBKE CYP1A2 4205/4885CYP3A4 4149/4885CYP2D6 4256/4885

“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.