SCHEMBL22744486

SCHEMBL22744486

Bc1nc(N)c2nc(Cl)ccc2n1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DHFR P00374 3/20 0.36
MAP4K4 O95819 1/20 0.36
IDO1 P14902 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
SCHEMBL29439675 0.80 DHFR (0.53) DHFRMAP4K4
SCHEMBL3922711 0.80 DHFR (0.53) DHFRMAP4K4
SCHEMBL22715191 0.77 ADORA1 (0.41) DHFRMAP4K4
SCHEMBL22715815 0.77 DHFR (0.36) DHFRMAP4K4IDO1
SCHEMBL29439605 0.77 DHFR (0.36) DHFRMAP4K4IDO1
SCHEMBL22715906 0.77 DHFR (0.37) DHFRMAP4K4IDO1
SCHEMBL29439784 0.77 ADORA1 (0.41) DHFRMAP4K4
SCHEMBL22715965 0.73 PDE4A (0.40) DHFRMAP4K4IDO1
SCHEMBL22715891 0.73 DHFR (0.37) DHFRMAP4K4
SCHEMBL22715172 0.73 ADORA1 (0.46) DHFRMAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827634-B2 Small molecule inhibitors of NF-kB inducing kinase JANSSEN PHARMACEUTICA NV (BE) 2023-11-28 US disclosed
WO-2023217906-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2023-11-16 WO 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 (3 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 DHFR 2057/4885MAP4K4 104/4885IDO1 1636/4885
US-11827634-B2 Small molecule inhibitors of NF-kB inducing kinase NFKBIA, IKBKB, NFRKB DHFR 2057/4885MAP4K4 104/4885IDO1 1636/4885
US-11254673-B2 Small molecule inhibitors of NF-κB inducing kinase NFKBIA, IKBKB, CHUK DHFR 1897/4885MAP4K4 113/4885IDO1 1335/4885

“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.