SCHEMBL30171872

SCHEMBL30171872

N#CCOc1ccc(-c2cnc3c(Nc4ccc(C(=O)NCCc5ccncc5)c(Cl)c4)nccn23)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 4/20 0.40
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ GSK3B P49841 3/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ KARS1 Q15046 1/20 0.32
▸ TTK P33981 3/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ MAPKAPK5 Q8IW41 1/20 0.31
▸ FLT1 P17948 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ MAPT P10636 3/20 0.31
▸ GAA P10253 1/20 0.31

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
SCHEMBL22122943 1.00 PTK6 (0.40) PTK6IRAK4ALDH1A1SMN1; SMN2GSK3B
SCHEMBL30171800 0.96 PTK6 (0.39) PTK6ALDH1A1SMN1; SMN2TTKMAPKAPK5
SCHEMBL22123298 0.96 PTK6 (0.39) PTK6ALDH1A1SMN1; SMN2TTKMAPKAPK5
SCHEMBL22122963 0.95 PTK6 (0.40) PTK6IRAK4ALDH1A1SMN1; SMN2GSK3B
SCHEMBL30171866 0.95 PTK6 (0.40) PTK6IRAK4ALDH1A1SMN1; SMN2GSK3B
SCHEMBL22122868 0.95 PTK6 (0.40) PTK6IRAK4ALDH1A1SMN1; SMN2GSK3B
SCHEMBL30172001 0.95 PTK6 (0.40) PTK6IRAK4ALDH1A1SMN1; SMN2GSK3B
SCHEMBL24112493 0.89 PTK6 (0.41) PTK6IRAK4TTKMAPKAPK5
SCHEMBL22122941 0.89 PTK6 (0.41) PTK6SMN1; SMN2CDK2TTKMAPKAPK5
SCHEMBL30171741 0.89 PTK6 (0.41) PTK6SMN1; SMN2CDK2TTKMAPKAPK5

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
EP-3898630-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-05-10 — — EP disclosed
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-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 (5 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 2201/4885IRAK4 55/4885ALDH1A1 539/4885
US-20230011869-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 PTK6 2201/4885IRAK4 55/4885ALDH1A1 539/4885
US-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 PTK6 2141/4885IRAK4 35/4885ALDH1A1 540/4885
US-20230013602-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES IL4, RPS4Y1, RPS4X PTK6 1818/4885IRAK4 18/4885ALDH1A1 1264/4885
US-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, MYD88, IL1R1 PTK6 2211/4885IRAK4 30/4885ALDH1A1 775/4885

“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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