SCHEMBL22744160

SCHEMBL22744160

CN1CC[C@H](C#Cc2cccc(-c3cc(C(F)F)c4ncnc(N)c4n3)c2)C1=O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 3/20 0.35
▸ MAP4K4 O95819 11/20 0.35
▸ MAP3K14 Q99558 5/20 0.34
▸ REN P00797 1/20 0.32
▸ CTSD P07339 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ BACE1 P56817 1/20 0.32
▸ BACE2 Q9Y5Z0 1/20 0.32

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
SCHEMBL22744200 0.85 MAP4K4 (0.36) GRM5MAP4K4MAP3K14
SCHEMBL23869894 0.81 GRM5 (0.34) GRM5MAP4K4MAP3K14
SCHEMBL22715195 0.79 MAP3K14 (0.59) MAP3K14
SCHEMBL22715758 0.79 MAP3K14 (0.59) MAP3K14
SCHEMBL22715199 0.79 MAP3K14 (0.59) MAP3K14
SCHEMBL22744222 0.75 MAP3K14 (0.38) MAP4K4MAP3K14
SCHEMBL22744191 0.74 MAP4K4 (0.37) MAP4K4MAP3K14
SCHEMBL23870141 0.73 MKNK1 (0.41) GRM5MAP4K4CYP3A4
SCHEMBL22744163 0.73 MAP3K14 (0.35) GRM5MAP3K14
SCHEMBL22744138 0.72 MAP3K14 (0.33) GRM5MAP4K4MAP3K14

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 4 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
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 GRM5 4586/4885MAP4K4 104/4885MAP3K14 35/4885
US-11827634-B2 Small molecule inhibitors of NF-kB inducing kinase NFKBIA, IKBKB, NFRKB GRM5 4586/4885MAP4K4 104/4885MAP3K14 35/4885
US-11254673-B2 Small molecule inhibitors of NF-κB inducing kinase NFKBIA, IKBKB, CHUK GRM5 4516/4885MAP4K4 113/4885MAP3K14 36/4885

“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.

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