SCHEMBL30171857

SCHEMBL30171857

CN(CCC1CCNCC1)C(=O)c1ccc(Nc2nccn3c(-c4ccc(OC(F)F)cc4)cnc23)cc1I

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 4/20 0.42
▸ TTK P33981 12/20 0.41
▸ GSK3B P49841 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ MAPKAPK5 Q8IW41 1/20 0.36
▸ AURKB Q96GD4 3/20 0.35
▸ AURKA O14965 2/20 0.35
▸ LCK P06239 2/20 0.35

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
SCHEMBL22123765 0.93 TTK (0.46) PTK6TTKGSK3BDYRK1AMAPKAPK5
SCHEMBL24870826 0.92 PTK6 (0.50) PTK6TTKAURKBLCK
Hydrochloric Acid SCHEMBL25167713 0.92 TTK (0.45) PTK6TTKGSK3BDYRK1AMAPKAPK5
Hydrochloric Acid SCHEMBL30171904 0.92 PTK6 (0.49) PTK6TTKAURKBLCK
Hydrochloric Acid SCHEMBL30385762 0.86 PTK6 (0.40) PTK6TTKMAPKAPK5AURKBLCK
SCHEMBL22139088 0.85 TTK (0.44) PTK6TTKMAPKAPK5AURKBLCK
SCHEMBL22122995 0.85 TTK (0.46) PTK6TTKAURKBAURKALCK
SCHEMBL25450692 0.84 TTK (0.42) PTK6TTKMAPKAPK5AURKA
Hydrochloric Acid SCHEMBL30172110 0.84 TTK (0.44) PTK6TTKMAPKAPK5AURKBLCK
SCHEMBL24870852 0.84 TTK (0.42) PTK6TTKMAPKAPK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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 PTK6 2211/4885TTK 4482/4885GSK3B 4630/4885

“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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