SCHEMBL30171560

SCHEMBL30171560

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)N(C)CC(=O)N5CCOCC5)c(C)c4)nccn23)cc1F

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK5 Q8IW41 7/20 0.50
▸ PTK6 Q13882 4/20 0.41
▸ FYN P06241 1/20 0.41
▸ AURKB Q96GD4 4/20 0.40
▸ TTK P33981 4/20 0.40
▸ LCK P06239 1/20 0.40
▸ AURKA O14965 1/20 0.39
▸ JAK3 P52333 2/20 0.38
▸ BTK Q06187 1/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ TYK2 P29597 1/20 0.38
▸ SYK P43405 1/20 0.37

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
SCHEMBL22139099 1.00 MAPKAPK5 (0.50) MAPKAPK5PTK6FYNAURKBTTK
SCHEMBL30183522 0.93 PTK6 (0.49) MAPKAPK5PTK6AURKBTTKLCK
SCHEMBL22139063 0.93 PTK6 (0.49) MAPKAPK5PTK6AURKBTTKLCK
SCHEMBL30177745 0.90 MAPKAPK5 (0.46) MAPKAPK5PTK6FYNAURKBAURKA
SCHEMBL22124388 0.90 MAPKAPK5 (0.40) MAPKAPK5PTK6AURKBTTKLCK
SCHEMBL22123255 0.89 PTK6 (0.44) MAPKAPK5PTK6AURKBTTKLCK
SCHEMBL22123361 0.89 MAPKAPK5 (0.44) MAPKAPK5PTK6AURKBTTKAURKA
SCHEMBL30172000 0.88 TTK (0.40) MAPKAPK5PTK6AURKBTTKSYK
SCHEMBL22123009 0.88 TTK (0.40) MAPKAPK5PTK6AURKBTTKSYK
SCHEMBL22139098 0.88 MAPKAPK5 (0.43) MAPKAPK5PTK6AURKBTTKAURKA

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-20230022724-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-26 — — US disclosed
US-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-19 — — US disclosed
US-20230013602-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-19 — — 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-20230022724-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 MAPKAPK5 728/4885PTK6 2201/4885FYN 3928/4885
US-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 MAPKAPK5 695/4885PTK6 2141/4885FYN 3973/4885
US-20230013602-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES IL4, RPS4Y1, RPS4X MAPKAPK5 516/4885PTK6 1818/4885FYN 3646/4885
US-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, MYD88, IL1R1 MAPKAPK5 647/4885PTK6 2211/4885FYN 4026/4885

“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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