SCHEMBL13442546

SCHEMBL13442546

COc1c(I)cc2c([nH]c3cnccc32)c1NC(=O)c1cncnc1C

nearest known ligand 0.80

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ICOSLG O75144 9/20 0.80
▸ ICOS Q9Y6W8 9/20 0.80
▸ CHUK O15111 15/20 0.64
▸ IKBKB O14920 2/20 0.64
▸ DYRK1A Q13627 2/20 0.64
▸ TYK2 P29597 1/20 0.64
▸ CLK1 P49759 1/20 0.64
▸ CLK2 P49760 1/20 0.64
▸ CLK4 Q9HAZ1 1/20 0.64
▸ PI4KB Q9UBF8 1/20 0.64
▸ MEN1 O00255 1/20 0.39
▸ PIM1 P11309 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PIM3 Q86V86 1/20 0.39
▸ IKBKG Q9Y6K9 1/20 0.39
▸ ROCK2 O75116 2/20 0.35

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
SCHEMBL12653357 0.89 CHUK (0.80) ICOSLGICOSCHUKIKBKBDYRK1A
SCHEMBL1801372 0.89 ICOSLG (1.00) ICOSLGICOSCHUKIKBKBDYRK1A
SCHEMBL12653168 0.80 CHUK (0.70) ICOSLGICOSCHUKIKBKBDYRK1A
SCHEMBL1420073 0.78 CHUK (1.00) ICOSLGICOSCHUKIKBKBDYRK1A
SCHEMBL30342072 0.78 CHUK (1.00) ICOSLGICOSCHUKIKBKBDYRK1A
SCHEMBL30492167 0.78 CHUK (1.00) ICOSLGICOSCHUKIKBKBDYRK1A
SCHEMBL30039188 0.78 CHUK (1.00) ICOSLGICOSCHUKIKBKBDYRK1A
Hydrochloric Acid SCHEMBL18114522 0.78 CHUK (0.98) ICOSLGICOSCHUKIKBKBDYRK1A
SCHEMBL12653117 0.76 CHUK (0.66) ICOSLGICOSCHUKIKBKBDYRK1A
SCHEMBL13442705 0.74 CHUK (0.64) ICOSLGICOSCHUKIKBKBDYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093713-A1 BETA-CARBOLINES USEFUL FOR TREATING INFLAMMATORY DISEASE MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-04-15 — — US 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 (1 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-20100093713-A1 BETA-CARBOLINES USEFUL FOR TREATING INFLAMMATORY DISEASE NFKBIA, NFKB2, IKBKG ICOSLG 2200/4885ICOS 589/4885CHUK 8/4885

“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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