SCHEMBL22122904

SCHEMBL22122904

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)NCCCN(C)C)cc4)nccn23)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 9/20 0.52
▸ TTK P33981 5/20 0.47
▸ ALK Q9UM73 2/20 0.46
▸ RAD52 P43351 1/20 0.44
▸ MTOR P42345 1/20 0.43
▸ MCHR1 Q99705 1/20 0.43
▸ IKBKB O14920 1/20 0.43

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
SCHEMBL30172068 1.00 FYN (0.52) FYNTTKALKRAD52MTOR
SCHEMBL22123392 0.91 TTK (0.51) FYNTTK
SCHEMBL30171705 0.91 TTK (0.51) FYNTTK
SCHEMBL22124603 0.89 TTK (0.50) TTK
SCHEMBL30171597 0.89 TTK (0.50) TTK
SCHEMBL22122845 0.89 TTK (0.50) TTK
SCHEMBL22154474 0.88 TTK (0.50) TTK
SCHEMBL22157206 0.88 TTK (0.47) FYNTTK
SCHEMBL22123753 0.87 TTK (0.44) FYNTTKRAD52IKBKB
SCHEMBL22122908 0.85 TTK (0.52) TTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3898631-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP claimed
WO-2020126953-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO claimed
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 (1 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-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, MYD88, IL1R1 FYN 4026/4885TTK 4482/4885ALK 1026/4885

“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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