SCHEMBL4259972

SCHEMBL4259972

COCc1cc(O)nc(N)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.38
PKM P14618 1/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PI4KA P42356 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
HSD17B10 Q99714 1/20 0.34
POLB P06746 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
LMNA P02545 2/20 0.33
LRRK2 Q5S007 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33

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
SCHEMBL14616991 0.81 NPC1 (0.31) NPC1
SCHEMBL25088030 0.80 PKM (0.39) PKMKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL11355247 0.78 PKM (0.38) PKMKDM4EALDH1A1HPGDTDP1
SCHEMBL11514300 0.78 ALDH1A1 (0.46) PKMKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL5748988 0.78 HRH3 (0.46) PIK3CAHRH3
SCHEMBL15912734 0.77 HSP90AB1 (0.51) KDM4EALDH1A1SMN1; SMN2TDP1POLB
SCHEMBL22853068 0.77 KDM4E (0.37) PKMKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL10617676 0.77 ALDH1A1 (0.46) NPC1PKMKDM4EALDH1A1HPGD
SCHEMBL13153625 0.74 NOS2 (0.48) KDM4EALDH1A1SMN1; SMN2HSD17B10LMNA
SCHEMBL30227466 0.74 NOS2 (0.48) KDM4EALDH1A1SMN1; SMN2HSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4744661-A2 NOVEL PYRIMIDIN-2-YL SULFONAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2026-05-20 EP disclosed
EP-4298092-B1 NOVEL PYRIMIDIN-2-YL SULFONAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2025-11-26 EP disclosed
US-20240025883-A1 PYRIMIDIN-2-YL SULFONAMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2024-01-25 US disclosed
US-20240025883-A1 PYRIMIDIN-2-YL SULFONAMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2024-01-25 US disclosed
US-20240025883-A1 PYRIMIDIN-2-YL SULFONAMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2024-01-25 US disclosed
EP-4298092-A1 NOVEL PYRIMIDIN-2-YL SULFONAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2024-01-03 EP disclosed
CN-116829550-A Pyrimidine-2-ylsulfonamide derivatives 豪夫迈·罗氏有限公司 2023-09-29 CN disclosed
WO-2022180136-A1 NOVEL PYRIMIDIN-2-YL SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2022-09-01 WO disclosed
US-7488721-B2 Real time methylumbelliferone-based assay MCMASTER UNIVERSITY (CA) 2009-02-10 US disclosed
US-7488721-B2 Real time methylumbelliferone-based assay MCMASTER UNIVERSITY (CA) 2009-02-10 US disclosed
US-7488721-B2 Real time methylumbelliferone-based assay MCMASTER UNIVERSITY (CA) 2009-02-10 US disclosed
US-20060008862-A1 Real time methylumbelliferone-based assay THE HOSPITAL FOR SICK CHILDREN 2006-01-12 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-20240025883-A1 PYRIMIDIN-2-YL SULFONAMIDE DERIVATIVES GPR17, GPR27, GPR119 NPC1 424/4885PKM 2531/4885KDM4E 3786/4885

“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.