SCHEMBL30171657

SCHEMBL30171657

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)NCCN5CCNCC5)c(Cl)c4)nccn23)cc1F

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 14/20 0.55
▸ HTR4 Q13639 1/20 0.45
▸ LCK P06239 5/20 0.44
▸ AURKB Q96GD4 5/20 0.44
▸ MAPKAPK5 Q8IW41 1/20 0.43
▸ EGFR P00533 2/20 0.42
▸ CD274 Q9NZQ7 1/20 0.42
▸ BCL6 P41182 1/20 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
SCHEMBL22123965 1.00 PTK6 (0.55) PTK6HTR4LCKAURKBMAPKAPK5
SCHEMBL22122944 0.93 PTK6 (0.47) PTK6HTR4LCKAURKBMAPKAPK5
SCHEMBL22122928 0.90 PTK6 (0.51) PTK6HTR4LCKAURKBEGFR
SCHEMBL30171940 0.90 PTK6 (0.51) PTK6HTR4LCKAURKBEGFR
SCHEMBL30183184 0.89 TTK (0.46) PTK6AURKBMAPKAPK5EGFRCD274
SCHEMBL22139120 0.88 PTK6 (0.54) PTK6LCKAURKBMAPKAPK5EGFR
Hydrochloric Acid SCHEMBL30171709 0.87 PTK6 (0.53) PTK6LCKAURKBMAPKAPK5EGFR
SCHEMBL22123797 0.87 PTK6 (0.45) PTK6AURKBMAPKAPK5EGFRCD274
SCHEMBL22124775 0.87 PTK6 (0.45) PTK6LCKAURKBMAPKAPK5EGFR
SCHEMBL22123074 0.86 TTK (0.45) PTK6AURKBMAPKAPK5CD274

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3898631-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS HOFFMANN LA ROCHE (CH) 2023-01-18 — — EP disclosed
US-20230012368-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-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, MYD88, IL1R1 PTK6 2211/4885HTR4 3666/4885LCK 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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