SCHEMBL29859798

SCHEMBL29859798

NC(=O)c1nc(-c2cn[nH]c2)sc1-c1cn[nH]c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ IKBKE Q14164 3/20 0.48
▸ TBK1 Q9UHD2 3/20 0.48
▸ ILK Q13418 2/20 0.43
▸ TGFBR1 P36897 11/20 0.39
▸ LRRK2 Q5S007 2/20 0.36
▸ GPR35 Q9HC97 1/20 0.35
▸ PLK1 P53350 1/20 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
SCHEMBL27029460 0.88 TBK1 (0.45) IKBKETBK1ILKTGFBR1LRRK2
SCHEMBL29859768 0.81 IKBKE (0.38) IKBKETBK1ILKTGFBR1LRRK2
Hydrochloric Acid SCHEMBL2589518 0.72 IKBKE (0.35) IKBKETBK1ILKTGFBR1
SCHEMBL2728413 0.71 HTR2B (0.48) IKBKETBK1ILKGPR35
Hydrochloric Acid SCHEMBL31122121 0.70 CHEK1 (0.47) IKBKETBK1ILKGPR35
SCHEMBL30388731 0.69 MAPK1 (0.41) IKBKETBK1LRRK2GPR35PLK1
SCHEMBL13735539 0.68 LRRK2 (0.39) IKBKETBK1LRRK2GPR35PLK1
SCHEMBL611638 0.68 CDC7 (0.41) IKBKETBK1GPR35PLK1
SCHEMBL30387828 0.67 LRRK2 (0.38) IKBKETBK1LRRK2PLK1
SCHEMBL28988096 0.67 LRRK2 (0.38) IKBKETBK1LRRK2PLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250326778-A1 PYRAZOLE COMPOUNDS AND METHOD FOR MAKING AND USING THE COMPOUNDS RIGEL PHARMACEUTICALS, INC. (US) 2025-10-23 — — US disclosed
EP-4308115-A1 HETEROAROYL AMIDES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Merck Sharp & Dohme LLC (US) 2024-01-24 — — EP disclosed
WO-2022197577-A1 HETEROAROYL AMIDES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2022-09-22 — — 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 (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-20250326778-A1 PYRAZOLE COMPOUNDS AND METHOD FOR MAKING AND USING THE COMPOUNDS IRAK3, IRAK1, IRAK2 IKBKE 19/4885TBK1 9/4885ILK 274/4885

“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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