SCHEMBL24104736

SCHEMBL24104736

COc1ccc(-c2cnc3c(Nc4ccc(NC(=O)COCCOCCN)cc4)nccn23)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 1/20 0.41
▸ MAPKAPK5 Q8IW41 3/20 0.40
▸ TTK P33981 4/20 0.40
▸ USP2 O75604 1/20 0.40
▸ IGF1R P08069 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CYP1B1 Q16678 2/20 0.36
▸ CYP1A1 P04798 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ BRAF P15056 1/20 0.36
▸ AURKA O14965 1/20 0.36

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
SCHEMBL30167861 1.00 PTK6 (0.41) PTK6MAPKAPK5TTKUSP2IGF1R
SCHEMBL25170919 0.98 PTK6 (0.42) PTK6MAPKAPK5TTKUSP2IGF1R
SCHEMBL25167794 0.86 PTK6 (0.46) PTK6MAPKAPK5TTKUSP2IGF1R
SCHEMBL30168204 0.86 PTK6 (0.46) PTK6MAPKAPK5TTKUSP2IGF1R
SCHEMBL24105218 0.84 PTK6 (0.47) PTK6MAPKAPK5TTKALDH1A1AURKA
SCHEMBL30168133 0.82 PTK6 (0.42) PTK6MAPKAPK5TTKIGF1RALDH1A1
SCHEMBL22124679 0.82 TTK (0.44) PTK6MAPKAPK5TTKBRAF
SCHEMBL22139065 0.81 MAPKAPK5 (0.54) PTK6MAPKAPK5TTK
SCHEMBL22122845 0.81 TTK (0.50) PTK6MAPKAPK5TTK
Hydrochloric Acid SCHEMBL22123544 0.81 TTK (0.44) PTK6MAPKAPK5TTKBRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230141403-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-05-11 — — US claimed
US-20230141403-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-05-11 — — US disclosed
US-20230141403-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-05-11 — — US disclosed
US-20230141403-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-05-11 — — US disclosed
WO-2021249893-A1 NOVEL IMIDAZO-PYRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2021-12-16 — — WO 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-20230141403-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES XDH, MYD88, IKZF3 PTK6 2213/4885MAPKAPK5 771/4885TTK 4157/4885

“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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