SCHEMBL30177674

SCHEMBL30177674

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)N5CCC(N(C)C)C5)c(C)c4)nccn23)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 8/20 0.47
▸ TTK P33981 5/20 0.44
▸ LCK P06239 4/20 0.42
▸ CDK1 P06493 2/20 0.41
▸ CDK2 P24941 2/20 0.41
▸ MCHR1 Q99705 1/20 0.41
▸ ATR Q13535 1/20 0.41
▸ AURKB Q96GD4 4/20 0.40
▸ MAPKAPK5 Q8IW41 1/20 0.40
▸ PIK3CA P42336 2/20 0.39
▸ MTOR P42345 2/20 0.39

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
SCHEMBL22123990 1.00 PTK6 (0.47) PTK6TTKLCKCDK1CDK2
SCHEMBL22125448 0.90 TTK (0.51) TTKCDK1CDK2MCHR1ATR
SCHEMBL22124013 0.89 PTK6 (0.52) PTK6TTKLCKAURKBMAPKAPK5
SCHEMBL22124280 0.89 PTK6 (0.46) PTK6TTKLCKAURKB
SCHEMBL22123985 0.88 PTK6 (0.46) PTK6TTKLCKAURKB
SCHEMBL22124015 0.86 PTK6 (0.44) PTK6TTKLCKAURKB
SCHEMBL22123966 0.86 PTK6 (0.49) PTK6TTKLCKAURKBMAPKAPK5
SCHEMBL22124498 0.85 PTK6 (0.53) PTK6TTKLCKAURKBMAPKAPK5
SCHEMBL30171606 0.85 PTK6 (0.53) PTK6TTKLCKAURKBMAPKAPK5
Hydrochloric Acid SCHEMBL30171611 0.85 PTK6 (0.48) 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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