SCHEMBL25210972

SCHEMBL25210972

COC(=O)c1ccc(-c2cncc(-c3cncc(F)c3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.50
CYP11B1 P15538 3/20 0.46
CYP11B2 P19099 3/20 0.46
CYP19A1 P11511 1/20 0.46
TLR7 Q9NYK1 1/20 0.46
MAP2K4 P45985 1/20 0.44
SLC2A1 P11166 1/20 0.43
HPGD P15428 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CASP3 P42574 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
MAPK13 O15264 1/20 0.43
ALOX5 P09917 1/20 0.43
GCGR P47871 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43

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
SCHEMBL30439099 1.00 CHEK1 (0.50) CHEK1CYP11B1CYP11B2CYP19A1TLR7
SCHEMBL29253937 0.86 PDK2 (0.45) CHEK1CYP11B1CYP11B2TLR7ABL1
SCHEMBL25258053 0.83 CHEK1 (0.59) CHEK1
SCHEMBL4905901 0.81 TDP1 (0.62) CHEK1CYP11B1CYP11B2CYP19A1SLC2A1
SCHEMBL29488899 0.77 CHEK1 (0.51) CHEK1CYP11B1CYP11B2CYP19A1MAP2K4
SCHEMBL24369137 0.77 CHEK1 (0.51) CHEK1CYP11B1CYP11B2CYP19A1MAP2K4
SCHEMBL24369756 0.77 CTPS1 (0.49) CHEK1CYP11B1CYP11B2CYP19A1HPGD
SCHEMBL25218243 0.76 ULK1 (0.40) CHEK1TLR7FYNMAPTPIK3CG
SCHEMBL30438769 0.76 ULK1 (0.40) CHEK1TLR7FYNMAPTPIK3CG
Trifluoroacetic Acid SCHEMBL30438329 0.75 MKNK1 (0.48) CHEK1CYP11B2RAF1BRAF

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-20250122167-A1 Pyrazine Compounds Useful in the Treatment of Parasitic Protozoal Infection GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2025-04-17 US disclosed
EP-4436960-A1 PYRAZINE COMPOUNDS USEFUL IN THE TREATMENT OF PARASITIC PROTOZOAL INFECTION GlaxoSmithKline Intellectual Property Development Limited (GB) 2024-10-02 EP disclosed
CN-118355005-A Pyrazine compounds for the treatment of parasitic protozoal infections 葛兰素史密斯克莱知识产权发展有限公司 2024-07-16 CN disclosed
WO-2023094305-A1 PYRAZINE COMPOUNDS USEFUL IN THE TREATMENT OF PARASITIC PROTOZOAL INFECTION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-06-01 WO disclosed
WO-2023094305-A1 PYRAZINE COMPOUNDS USEFUL IN THE TREATMENT OF PARASITIC PROTOZOAL INFECTION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-06-01 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-20250122167-A1 Pyrazine Compounds Useful in the Treatment of Parasitic Protozoal Infection CYP3A5, CYP3A43, CYP51A1 CHEK1 4827/4885CYP11B1 24/4885CYP11B2 10/4885

“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.