SCHEMBL25450778

SCHEMBL25450778

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)N5CCN(C(=O)C[N+](C)(C)C)CC5)c(Cl)c4)nccn23)c(F)c1F

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 20/20 0.52
▸ LCK P06239 7/20 0.42
▸ AURKB Q96GD4 4/20 0.41

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 SCHEMBL25170376 0.99 PTK6 (0.52) PTK6LCKAURKB
SCHEMBL22125440 0.93 PTK6 (0.59) PTK6LCKAURKB
SCHEMBL30171569 0.93 PTK6 (0.59) PTK6LCKAURKB
SCHEMBL22125392 0.92 PTK6 (0.54) PTK6LCKAURKB
SCHEMBL25450772 0.91 PTK6 (0.49) PTK6LCKAURKB
Hydrochloric Acid SCHEMBL25170321 0.91 PTK6 (0.53) PTK6LCKAURKB
SCHEMBL24112364 0.90 PTK6 (0.56) PTK6LCKAURKB
SCHEMBL25450716 0.89 PTK6 (0.58) PTK6LCKAURKB
Formic Acid SCHEMBL25169295 0.89 PTK6 (0.47) PTK6LCKAURKB
SCHEMBL22125202 0.86 PTK6 (0.52) PTK6LCKAURKB

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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