SCHEMBL25450748

SCHEMBL25450748

CCC[N+](CCC)(CCC)CCOCCNC(=O)c1ccc(Nc2nccn3c(-c4ccc(OCC#N)c(F)c4F)cnc23)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 12/20 0.39
▸ LCK P06239 4/20 0.32
▸ AURKB Q96GD4 3/20 0.32
▸ IRAK4 Q9NWZ3 1/20 0.30
▸ TTK P33981 2/20 0.30

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
Iodide SCHEMBL25173515 0.99 PTK6 (0.39) PTK6LCKAURKB
SCHEMBL24112577 0.95 PTK6 (0.38) PTK6LCKAURKBIRAK4TTK
SCHEMBL24112493 0.93 PTK6 (0.41) PTK6LCKAURKBIRAK4TTK
SCHEMBL28982214 0.91 PTK6 (0.38) PTK6LCKAURKBIRAK4TTK
SCHEMBL25452721 0.91 PTK6 (0.40) PTK6LCKAURKBTTK
SCHEMBL22160965 0.90 PTK6 (0.40) PTK6LCKAURKB
SCHEMBL22124671 0.88 PTK6 (0.38) PTK6IRAK4
SCHEMBL30172007 0.88 PTK6 (0.38) PTK6IRAK4
SCHEMBL24112570 0.88 PTK6 (0.33) PTK6IRAK4TTK
Iodide SCHEMBL25170306 0.87 PTK6 (0.33) PTK6IRAK4TTK

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 1817/4885AURKB 4161/4885

“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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