SCHEMBL26977882

SCHEMBL26977882

COc1nc(N)ncc1C#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
P2RX3 P56373 1/20 0.44
P2RX2 Q9UBL9 1/20 0.44
CSNK1A1 P48729 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 2/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.39
NUDT1 P36639 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DHFR P00374 1/20 0.38
MAPT P10636 1/20 0.38
PIN1 Q13526 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37

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
SCHEMBL10990659 0.81 NUDT1 (0.39) P2RX3P2RX2KMT2ANUDT1DHFR
SCHEMBL26978300 0.80 DHFR (0.40) KMT2ANUDT1DHFRMAPT
SCHEMBL21550205 0.79 GAA (0.44) CSNK1A1CLK4KDM4EALDH1A1MEN1
SCHEMBL3817806 0.79 KDM4E (0.42) CSNK1A1CLK4KDM4EALDH1A1MEN1
SCHEMBL2527306 0.78 PIN1 (0.59) CSNK1A1CLK4KDM4EALDH1A1MEN1
SCHEMBL25226820 0.77 GAA (0.47) KDM4EALDH1A1GAAL3MBTL1MAPT
SCHEMBL30397908 0.77 GAA (0.47) KDM4EALDH1A1GAAL3MBTL1MAPT
SCHEMBL29082188 0.76 DHFR (0.39) P2RX3P2RX2NUDT1DHFRMAPT
SCHEMBL29458221 0.76 ADORA2A (0.40) ADORA2AADORA1CSNK1A1CLK4NUDT1
SCHEMBL25384842 0.76 ADORA2A (0.40) ADORA2AADORA1CSNK1A1CLK4NUDT1

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 6 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
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

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 ADORA2A 923/4885ADORA1 606/4885P2RX3 120/4885

“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.