SCHEMBL30171983

SCHEMBL30171983

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)N5CCOCC5)c(C)c4)nccn23)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 6/20 0.52
▸ MAPKAPK5 Q8IW41 7/20 0.51
▸ AURKB Q96GD4 4/20 0.51
▸ LCK P06239 2/20 0.51
▸ CNR1 P21554 1/20 0.46
▸ CNR2 P34972 1/20 0.46
▸ AURKA O14965 1/20 0.46
▸ TTK P33981 2/20 0.44
▸ HPGD P15428 2/20 0.43
▸ FYN P06241 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42

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
SCHEMBL22125155 1.00 PTK6 (0.52) PTK6MAPKAPK5AURKBLCKCNR1
SCHEMBL30171606 0.91 PTK6 (0.53) PTK6MAPKAPK5AURKBLCKTTK
SCHEMBL22124498 0.91 PTK6 (0.53) PTK6MAPKAPK5AURKBLCKTTK
SCHEMBL22124013 0.90 PTK6 (0.52) PTK6MAPKAPK5AURKBLCKTTK
SCHEMBL22125250 0.89 MAPKAPK5 (0.59) PTK6MAPKAPK5AURKBLCKAURKA
SCHEMBL30171615 0.88 PTK6 (0.56) PTK6MAPKAPK5AURKBLCKAURKA
SCHEMBL22124249 0.88 PTK6 (0.56) PTK6MAPKAPK5AURKBLCKAURKA
SCHEMBL30177817 0.88 PTK6 (0.50) PTK6MAPKAPK5AURKBLCKTTK
SCHEMBL22125040 0.88 PTK6 (0.50) PTK6MAPKAPK5AURKBLCKTTK
SCHEMBL22124574 0.88 PTK6 (0.53) PTK6MAPKAPK5AURKBLCKTTK

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-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-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 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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