SCHEMBL30342072

SCHEMBL30342072

COc1c(Cl)cc2c([nH]c3cnccc32)c1NC(=O)c1cccnc1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CHUK O15111 16/20 1.00
▸ ICOSLG O75144 9/20 1.00
▸ ICOS Q9Y6W8 9/20 1.00
▸ IKBKB O14920 2/20 1.00
▸ TYK2 P29597 1/20 1.00
▸ CLK1 P49759 1/20 1.00
▸ CLK2 P49760 1/20 1.00
▸ DYRK1A Q13627 1/20 1.00
▸ CLK4 Q9HAZ1 1/20 1.00
▸ PI4KB Q9UBF8 1/20 1.00
▸ MEN1 O00255 1/20 0.45
▸ PIM1 P11309 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ PIM3 Q86V86 1/20 0.45
▸ IKBKG Q9Y6K9 1/20 0.45
▸ PDE4A P27815 2/20 0.41
▸ PDE4B Q07343 2/20 0.41
▸ PDE4C Q08493 2/20 0.41
▸ PDE4D Q08499 2/20 0.41

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
SCHEMBL1420073 1.00 CHUK (1.00) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL30039188 1.00 CHUK (1.00) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL30492167 1.00 CHUK (1.00) CHUKICOSLGICOSIKBKBTYK2
Hydrochloric Acid SCHEMBL18114522 0.99 CHUK (0.98) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL1798941 0.91 CHUK (0.84) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL17225471 0.90 CHUK (0.81) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL1801372 0.89 ICOSLG (1.00) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL12653357 0.89 CHUK (0.80) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL1797398 0.87 CHUK (0.77) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL1803613 0.87 CHUK (0.77) CHUKICOSLGICOSIKBKBTYK2

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-12312334-B2 Quinoxaline compounds and uses thereof BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2025-05-27 — — US disclosed
EP-3716978-B1 N-(PHENYL)-N'-(6-QUINOXALINYL)-UREA DERIVATIVES AS IKKB INHIBITORS FOR THE TREATMENT OF CANCER UNIV NEBRASKA (US) 2023-08-16 — — EP disclosed
US-20230250085-A1 QUINOXALINE COMPOUNDS AND USES THEREOF BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2023-08-10 — — US disclosed
US-11661411-B2 Quinoxaline compounds and uses thereof BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2023-05-30 — — US disclosed
CN-112824387-B 2-methyl nicotinate and preparation method and application thereof 济南尚博生物科技有限公司 2023-03-21 — — CN 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-12312334-B2 Quinoxaline compounds and uses thereof NFKBIA, RELA, IKBKB CHUK 4/4885ICOSLG 4734/4885ICOS 4768/4885
US-11661411-B2 Quinoxaline compounds and uses thereof NFKBIA, RELA, IKBKB CHUK 4/4885ICOSLG 4734/4885ICOS 4768/4885
US-20230250085-A1 QUINOXALINE COMPOUNDS AND USES THEREOF NFKBIA, RELA, IKBKB CHUK 4/4885ICOSLG 4734/4885ICOS 4768/4885

“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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