SCHEMBL22715321

SCHEMBL22715321

COc1ccc(CNc2ncnc3c2CNCCC3)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 20/20 0.48
▸ CYP3A4 P08684 20/20 0.48
▸ CYP2C19 P33261 18/20 0.48
▸ CYP2D6 P10635 16/20 0.48
▸ TSHR P16473 15/20 0.48
▸ ALDH1A1 P00352 14/20 0.48
▸ CLK4 Q9HAZ1 14/20 0.48
▸ HSD17B10 Q99714 12/20 0.48
▸ CYP2C9 P11712 11/20 0.48
▸ MAPK1 P28482 7/20 0.48
▸ LMNA P02545 8/20 0.47
▸ HIF1A Q16665 5/20 0.47
▸ MAPT P10636 1/20 0.47
▸ USP2 O75604 7/20 0.46
▸ ALOX15 P16050 5/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ CASP1 P29466 1/20 0.45

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
SCHEMBL29123820 0.81 CYP1A2 (0.50) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL25574650 0.77 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL30378851 0.77 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL22715685 0.77 CYP1A2 (0.45) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
Hydrochloric Acid SCHEMBL30378283 0.76 CYP1A2 (0.46) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL23854579 0.74 P2RX3 (0.47) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL22715525 0.74 CYP1A2 (0.45) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL29439611 0.74 CYP1A2 (0.45) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL12973637 0.72 P2RX3 (0.63) —
SCHEMBL4912995 0.70 CYP1A2 (0.54) CYP1A2CYP3A4CYP2C19CYP2D6TSHR

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 10 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
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 3993/4885CYP2C19 4582/4885
US-20230080834-A1 SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE NFKBIA, IKBKB, NFRKB CYP1A2 3969/4885CYP3A4 3993/4885CYP2C19 4582/4885
US-11827634-B2 Small molecule inhibitors of NF-kB inducing kinase NFKBIA, IKBKB, NFRKB CYP1A2 3969/4885CYP3A4 3993/4885CYP2C19 4582/4885
US-11254673-B2 Small molecule inhibitors of NF-κB inducing kinase NFKBIA, IKBKB, CHUK CYP1A2 4056/4885CYP3A4 4147/4885CYP2C19 4557/4885
US-12617789-B2 Small molecular inhibitors of NF-κb inducing kinase IRAK3, IKBKB, IKBKG CYP1A2 4708/4885CYP3A4 4654/4885CYP2C19 4871/4885
US-20240199605-A1 SMALL MOLECULAR INHIBITORS OF NF-kB INDUCING KINASE NFKBIA, IKBKB, IKBKE CYP1A2 4205/4885CYP3A4 4149/4885CYP2C19 4651/4885

“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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