SCHEMBL30177875

SCHEMBL30177875

CN(CCC1CCNCC1)C(=O)c1ccc(Nc2nccn3c(-c4ccc(CC#N)c(F)c4F)cnc23)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 16/20 0.43
▸ TTK P33981 1/20 0.35
▸ LCK P06239 7/20 0.34
▸ AURKB Q96GD4 5/20 0.34
▸ NR3C1 P04150 1/20 0.33
▸ MAPKAPK5 Q8IW41 1/20 0.32
▸ AURKA O14965 1/20 0.32

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
SCHEMBL30171624 0.90 PTK6 (0.44) PTK6TTKLCKAURKBNR3C1
SCHEMBL22123122 0.90 PTK6 (0.44) PTK6TTKLCKAURKBNR3C1
SCHEMBL25450726 0.82 PTK6 (0.38) PTK6TTKLCKAURKBMAPKAPK5
SCHEMBL30386185 0.82 PTK6 (0.40) PTK6TTKLCKAURKB
SCHEMBL22139165 0.81 PTK6 (0.50) PTK6TTKLCKAURKBMAPKAPK5
SCHEMBL22123694 0.81 TTK (0.41) PTK6TTKLCKAURKBMAPKAPK5
SCHEMBL30172065 0.81 TTK (0.41) PTK6TTKLCKAURKBMAPKAPK5
SCHEMBL24112356 0.81 PTK6 (0.38) PTK6TTKLCKAURKB
SCHEMBL25176394 0.80 PTK6 (0.39) PTK6LCK
SCHEMBL25450694 0.80 PTK6 (0.40) PTK6TTKLCKAURKBMAPKAPK5

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-20230011869-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-20230011869-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 PTK6 2201/4885TTK 4546/4885LCK 2427/4885

“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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