SCHEMBL30171592

SCHEMBL30171592

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)NCCN(C)CCN)c(C)c4)nccn23)cc1F

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 10/20 0.44
▸ MAPKAPK5 Q8IW41 1/20 0.42
▸ SYK P43405 3/20 0.40
▸ CDK2 P24941 2/20 0.40
▸ CDK1 P06493 1/20 0.40
▸ PTK6 Q13882 1/20 0.39
▸ BRAF P15056 1/20 0.38
▸ RAD52 P43351 1/20 0.37
▸ FYN P06241 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
SCHEMBL22124823 1.00 TTK (0.44) TTKMAPKAPK5SYKCDK2CDK1
SCHEMBL25444580 0.91 TTK (0.46) TTKMAPKAPK5CDK2CDK1PTK6
SCHEMBL22124907 0.89 TTK (0.46) TTKMAPKAPK5SYKPTK6BRAF
SCHEMBL22124746 0.88 TTK (0.45) TTKMAPKAPK5SYKPTK6BRAF
Hydrochloric Acid SCHEMBL30171711 0.88 TTK (0.45) TTKMAPKAPK5SYKPTK6BRAF
SCHEMBL22124768 0.87 TTK (0.47) TTKMAPKAPK5SYKPTK6BRAF
SCHEMBL30349788 0.87 TTK (0.47) TTKMAPKAPK5SYKPTK6BRAF
SCHEMBL24940086 0.86 TTK (0.46) TTKMAPKAPK5SYKPTK6BRAF
SCHEMBL22154775 0.85 TTK (0.44) TTKSYKCDK2CDK1PTK6
SCHEMBL30349717 0.85 TTK (0.47) TTKMAPKAPK5SYKPTK6

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 5 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
EP-3898631-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS HOFFMANN LA ROCHE (CH) 2023-01-18 — — EP 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 TTK 4546/4885MAPKAPK5 728/4885SYK 992/4885
US-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 TTK 4573/4885MAPKAPK5 695/4885SYK 939/4885
US-20230013602-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES IL4, RPS4Y1, RPS4X TTK 4519/4885MAPKAPK5 516/4885SYK 868/4885
US-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, MYD88, IL1R1 TTK 4482/4885MAPKAPK5 647/4885SYK 954/4885

“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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