SCHEMBL30177874

SCHEMBL30177874

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)N5CCN(CCOCCO)CC5)c(C)c4)nccn23)cc1F

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 12/20 0.46
▸ LCK P06239 3/20 0.45
▸ AURKB Q96GD4 4/20 0.42
▸ MAPKAPK5 Q8IW41 1/20 0.42
▸ PIK3CA P42336 1/20 0.40
▸ MTOR P42345 1/20 0.40
▸ TTK P33981 2/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ SYK P43405 1/20 0.37
▸ NAMPT P43490 2/20 0.37

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
SCHEMBL22124365 1.00 PTK6 (0.46) PTK6LCKAURKBMAPKAPK5PIK3CA
SCHEMBL30172074 0.89 PTK6 (0.47) PTK6LCKAURKBMAPKAPK5PIK3CA
SCHEMBL22125056 0.89 PTK6 (0.47) PTK6LCKAURKBMAPKAPK5PIK3CA
SCHEMBL22139235 0.88 PTK6 (0.51) PTK6LCKAURKBMAPKAPK5TTK
SCHEMBL22124969 0.87 PTK6 (0.47) PTK6LCKAURKBMAPKAPK5TTK
SCHEMBL30177743 0.87 PTK6 (0.47) PTK6LCKAURKBMAPKAPK5TTK
SCHEMBL22124469 0.87 PTK6 (0.47) PTK6LCKAURKBMAPKAPK5TTK
SCHEMBL22123896 0.86 PTK6 (0.61) PTK6LCKAURKBMAPKAPK5TTK
SCHEMBL22124033 0.86 PTK6 (0.48) PTK6LCKAURKBMAPKAPK5TTK
Hydrochloric Acid SCHEMBL30171630 0.85 PTK6 (0.60) PTK6LCKAURKBMAPKAPK5TTK

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 2201/4885LCK 2427/4885AURKB 3265/4885

“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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