SCHEMBL25450694

SCHEMBL25450694

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)N(C)CCC5CC[N+](C)(C)CC5)c(Cl)c4)nccn23)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 10/20 0.40
▸ LCK P06239 5/20 0.34
▸ IGF1R P08069 1/20 0.34
▸ TTK P33981 4/20 0.33
▸ AURKB Q96GD4 4/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ MALT1 Q9UDY8 1/20 0.32
▸ EGFR P00533 1/20 0.32
▸ MAPKAPK5 Q8IW41 1/20 0.31
▸ AURKA O14965 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
SCHEMBL25450699 0.93 TTK (0.37) PTK6TTKEGFRMAPKAPK5AURKA
SCHEMBL25450726 0.92 PTK6 (0.38) PTK6LCKTTKAURKBMAPKAPK5
SCHEMBL24112408 0.90 TTK (0.36) PTK6TTKEGFRMAPKAPK5AURKA
Trifluoroacetic Acid SCHEMBL30385325 0.90 TTK (0.36) PTK6TTKEGFRAURKA
SCHEMBL24112356 0.89 PTK6 (0.38) PTK6LCKTTKAURKB
Trifluoroacetic Acid SCHEMBL28982207 0.89 PTK6 (0.36) PTK6TTK
Trifluoroacetic Acid SCHEMBL30386113 0.87 PTK6 (0.39) PTK6LCKIGF1RAURKBEGFR
SCHEMBL22123581 0.85 PTK6 (0.41) PTK6LCKIGF1RTTKAURKB
SCHEMBL22123694 0.85 TTK (0.41) PTK6LCKTTKAURKBMAPKAPK5
SCHEMBL30172065 0.85 TTK (0.41) PTK6LCKTTKAURKBMAPKAPK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230141600-A1 IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-05-11 — — 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-20230141600-A1 IMIDAZOPYRAZINE DERIVATIVES IKZF3, RRP15, IK PTK6 925/4885LCK 1817/4885IGF1R 221/4885

“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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