SCHEMBL24105205

SCHEMBL24105205

COc1ccc(-c2cnc3c(Nc4ccc(NC(=O)CN5CCOCC5)cc4)nccn23)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 2/20 0.48
▸ KMT2A Q03164 2/20 0.47
▸ BRAF P15056 1/20 0.47
▸ MAPKAPK5 Q8IW41 6/20 0.47
▸ AURKA O14965 1/20 0.47
▸ AURKB Q96GD4 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.45
▸ EGFR P00533 1/20 0.45
▸ GAA P10253 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ PTK6 Q13882 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ FYN P06241 1/20 0.44
▸ KDM4E B2RXH2 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
SCHEMBL30168204 0.86 PTK6 (0.46) KDRKMT2AMAPKAPK5AURKAAURKB
SCHEMBL25167794 0.86 PTK6 (0.46) KDRKMT2AMAPKAPK5AURKAAURKB
SCHEMBL22160986 0.85 CD274 (0.53) KDRMAPKAPK5AURKAAURKBALDH1A1
SCHEMBL22123602 0.85 MAPKAPK5 (0.53) KMT2AMAPKAPK5AURKAAURKBPTK6
SCHEMBL24105218 0.84 PTK6 (0.47) KDRMAPKAPK5AURKAAURKBALDH1A1
SCHEMBL24104675 0.83 PTK6 (0.50) KDRKMT2AAURKBALDH1A1MEN1
SCHEMBL30168133 0.82 PTK6 (0.42) KDRMAPKAPK5ALDH1A1EGFRNPSR1
SCHEMBL25170919 0.81 PTK6 (0.42) KMT2ABRAFMAPKAPK5AURKAAURKB
SCHEMBL22124249 0.81 PTK6 (0.56) MAPKAPK5AURKAAURKBPTK6
SCHEMBL30171615 0.81 PTK6 (0.56) MAPKAPK5AURKAAURKBPTK6

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
US-20230141403-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-05-11 — — US 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 KDR 4773/4885KMT2A 3088/4885BRAF 1177/4885

“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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