SCHEMBL30349800

SCHEMBL30349800

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)N(C)CCOCCN5CCNCC5)c(Cl)c4)nccn23)cc1F

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 14/20 0.51
▸ EGFR P00533 4/20 0.42
▸ LCK P06239 5/20 0.41
▸ AURKB Q96GD4 5/20 0.41
▸ MAPKAPK5 Q8IW41 1/20 0.40
▸ BCL6 P41182 1/20 0.38
▸ ERBB2 P04626 2/20 0.38

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
SCHEMBL22124665 1.00 PTK6 (0.51) PTK6EGFRLCKAURKBMAPKAPK5
SCHEMBL22139120 0.94 PTK6 (0.54) PTK6EGFRLCKAURKBMAPKAPK5
Hydrochloric Acid SCHEMBL30171709 0.94 PTK6 (0.53) PTK6EGFRLCKAURKBMAPKAPK5
SCHEMBL24917117 0.93 PTK6 (0.44) PTK6EGFRLCKAURKBMAPKAPK5
SCHEMBL30172037 0.89 PTK6 (0.48) PTK6EGFRLCKAURKBMAPKAPK5
SCHEMBL24870961 0.89 PTK6 (0.48) PTK6EGFRLCKAURKBMAPKAPK5
SCHEMBL24870964 0.88 PTK6 (0.46) PTK6EGFRLCKAURKBMAPKAPK5
SCHEMBL22125075 0.88 PTK6 (0.51) PTK6LCKAURKBMAPKAPK5
Hydrochloric Acid SCHEMBL30171906 0.87 PTK6 (0.46) PTK6LCKAURKBMAPKAPK5
SCHEMBL24916702 0.86 MAPKAPK5 (0.47) PTK6EGFRAURKBMAPKAPK5

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-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-19 — — 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-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 PTK6 2141/4885EGFR 1591/4885LCK 2521/4885

“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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