SCHEMBL24105040

SCHEMBL24105040

COc1ccc(-c2cnc3c(Nc4ccc(S(=O)(=O)N5CCOCC5)cc4)nccn23)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 2/20 0.74
▸ AURKB Q96GD4 1/20 0.74
▸ ALDH1A1 P00352 6/20 0.55
▸ USP2 O75604 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ MAPKAPK5 Q8IW41 6/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ IKBKB O14920 1/20 0.46
▸ CHUK O15111 1/20 0.46
▸ CCNE1 P24864 1/20 0.46
▸ CDK2 P24941 1/20 0.46
▸ FLT3 P36888 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ FYN P06241 1/20 0.46
▸ ABL1 P00519 1/20 0.45
▸ NTRK1 P04629 1/20 0.45
▸ YES1 P07947 1/20 0.45
▸ KDR P35968 1/20 0.45

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
SCHEMBL24105037 0.90 AURKA (0.60) AURKAAURKBALDH1A1KDM4EMAPKAPK5
SCHEMBL14507445 0.85 AURKB (1.00) AURKAAURKBMAPKAPK5CCNE1CDK2
SCHEMBL24105202 0.84 AURKA (0.55) AURKAAURKBMAPKAPK5
SCHEMBL5618710 0.84 AURKA (0.65) AURKAAURKBALDH1A1USP2KDM4E
SCHEMBL22125250 0.82 MAPKAPK5 (0.59) AURKAAURKBALDH1A1KDM4EMAPKAPK5
SCHEMBL24105039 0.82 AURKA (0.70) AURKAAURKBALDH1A1MAPKAPK5SMN1; SMN2
SCHEMBL30177961 0.79 MAPKAPK5 (0.51) AURKAAURKBALDH1A1MAPKAPK5FLT3
SCHEMBL24105215 0.79 SRC (0.49) AURKAAURKBALDH1A1KDM4EMAPKAPK5
SCHEMBL30371440 0.79 SRC (0.49) AURKAAURKBALDH1A1KDM4EMAPKAPK5
SCHEMBL3466981 0.78 SRC (0.56) AURKAAURKBALDH1A1MAPKAPK5SMN1; SMN2

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
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
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 4111/4885ALDH1A1 2986/4885

“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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