SCHEMBL30171572

SCHEMBL30171572

COc1ccc(-c2cnc3c(Nc4ccc(CN(C)CC(=O)N5CCNC(=O)C5)c(C)c4)nccn23)cc1F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 6/20 0.41
▸ MAPKAPK5 Q8IW41 4/20 0.38
▸ AURKB Q96GD4 3/20 0.38
▸ AURKA O14965 1/20 0.36
▸ TTK P33981 3/20 0.35
▸ SYK P43405 1/20 0.34
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ TYK2 P29597 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ LCK P06239 1/20 0.33
▸ MKNK1 Q9BUB5 1/20 0.33
▸ MKNK2 Q9HBH9 1/20 0.33
▸ MAPK1 P28482 1/20 0.33

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
SCHEMBL25171917 1.00 PTK6 (0.41) PTK6MAPKAPK5AURKBAURKATTK
SCHEMBL22123255 0.89 PTK6 (0.44) PTK6MAPKAPK5AURKBAURKATTK
SCHEMBL22139063 0.81 PTK6 (0.49) PTK6MAPKAPK5AURKBTTKLCK
SCHEMBL30183522 0.81 PTK6 (0.49) PTK6MAPKAPK5AURKBTTKLCK
SCHEMBL30171835 0.80 PTK6 (0.48) PTK6MAPKAPK5AURKBTTKSYK
SCHEMBL22125012 0.80 PTK6 (0.48) PTK6MAPKAPK5AURKBTTKSYK
SCHEMBL22123074 0.79 TTK (0.45) PTK6MAPKAPK5AURKBTTKSYK
SCHEMBL22123896 0.78 PTK6 (0.61) PTK6MAPKAPK5AURKBTTKLCK
SCHEMBL22139099 0.78 MAPKAPK5 (0.50) PTK6MAPKAPK5AURKBAURKATTK
SCHEMBL30171560 0.78 MAPKAPK5 (0.50) PTK6MAPKAPK5AURKBAURKATTK

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230013602-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-19 — — US disclosed
US-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-19 — — US disclosed
US-20230011869-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-12 — — US disclosed
US-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-12 — — US 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 (4 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-20230011869-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 PTK6 2201/4885MAPKAPK5 728/4885AURKB 3265/4885
US-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 PTK6 2141/4885MAPKAPK5 695/4885AURKB 3352/4885
US-20230013602-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES IL4, RPS4Y1, RPS4X PTK6 1818/4885MAPKAPK5 516/4885AURKB 3169/4885
US-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, MYD88, IL1R1 PTK6 2211/4885MAPKAPK5 647/4885AURKB 3359/4885

“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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