SCHEMBL24105202

SCHEMBL24105202

COc1ccc(-c2cnc3c(Nc4ccc(S(C)(=O)=O)cc4)nccn23)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 4/20 0.55
▸ AURKB Q96GD4 1/20 0.51
▸ JAK2 O60674 3/20 0.48
▸ JAK3 P52333 3/20 0.48
▸ PTK2 Q05397 3/20 0.48
▸ PTGS2 P35354 2/20 0.48
▸ TTK P33981 2/20 0.47
▸ GSK3B P49841 1/20 0.47
▸ PTGS1 P23219 1/20 0.46
▸ SRC P12931 1/20 0.45
▸ ZAP70 P43403 1/20 0.44
▸ KARS1 Q15046 1/20 0.44
▸ TUBB4A P04350 1/20 0.44
▸ TUBB P07437 1/20 0.44
▸ TUBA3C P0DPH7 1/20 0.44
▸ TUBA1B P68363 1/20 0.44
▸ TUBA4A P68366 1/20 0.44
▸ TUBB4B P68371 1/20 0.44
▸ TUBB3 Q13509 1/20 0.44
▸ TUBB2A Q13885 1/20 0.44

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
SCHEMBL24105039 0.89 AURKA (0.70) AURKAAURKBJAK2JAK3PTK2
SCHEMBL24105215 0.86 SRC (0.49) AURKAAURKBTTKSRCMAPKAPK5
SCHEMBL30371440 0.86 SRC (0.49) AURKAAURKBTTKSRCMAPKAPK5
SCHEMBL24105037 0.85 AURKA (0.60) AURKAAURKBTTKGSK3BMAPKAPK5
SCHEMBL3466981 0.85 SRC (0.56) AURKAAURKBTTKSRCMAPKAPK5
SCHEMBL30371700 0.84 PTK6 (0.46) AURKAAURKBTTKSRCMAPKAPK5
SCHEMBL24105225 0.84 PTK6 (0.46) AURKAAURKBTTKSRCMAPKAPK5
SCHEMBL24105040 0.84 AURKA (0.74) AURKAAURKBMAPKAPK5
SCHEMBL24105022 0.83 TTK (0.52) AURKAAURKBTTKSRCMAPKAPK5
SCHEMBL24105201 0.83 SRC (0.47) AURKAAURKBTTKGSK3BSRC

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
CN-115667264-A Novel imidazo-pyrazine derivatives 豪夫迈·罗氏有限公司 2023-01-31 — — CN claimed
US-20230141403-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-05-11 — — US disclosed
US-20230141403-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-05-11 — — US disclosed
CN-115667264-A Novel imidazo-pyrazine derivatives 豪夫迈·罗氏有限公司 2023-01-31 — — CN disclosed
WO-2021249893-A1 NOVEL IMIDAZO-PYRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2021-12-16 — — 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-20230141403-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES XDH, MYD88, IKZF3 AURKA 2897/4885AURKB 4111/4885JAK2 153/4885

“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.

Send feedback