SCHEMBL25447277

SCHEMBL25447277

COc1ccc(-c2cnc3c(Nc4ccc(NC(C)=O)c(C)c4)nccn23)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 2/20 0.46
▸ FYN P06241 2/20 0.45
▸ KDR P35968 9/20 0.41
▸ EGFR P00533 6/20 0.41
▸ TTK P33981 3/20 0.40
▸ MC4R P32245 1/20 0.40
▸ STK4 Q13043 1/20 0.38
▸ SYK P43405 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
SCHEMBL30371857 1.00 PTK6 (0.46) PTK6FYNKDREGFRTTK
SCHEMBL24105229 0.94 PTK6 (0.49) PTK6FYNKDREGFRTTK
SCHEMBL30168157 0.94 PTK6 (0.49) PTK6FYNKDREGFRTTK
SCHEMBL30168215 0.90 PTK6 (0.45) PTK6FYNKDREGFRTTK
SCHEMBL24105033 0.90 PTK6 (0.45) PTK6FYNKDREGFRTTK
SCHEMBL30168210 0.90 FYN (0.45) PTK6FYNKDREGFRTTK
SCHEMBL24105218 0.90 PTK6 (0.47) PTK6FYNKDREGFRTTK
SCHEMBL24104669 0.87 PAX8 (0.43) PTK6FYNTTKMC4R
SCHEMBL24104678 0.87 TTK (0.44) PTK6FYNKDREGFRTTK
SCHEMBL30168196 0.87 TTK (0.44) PTK6FYNKDREGFRTTK

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-20230141403-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-05-11 — — 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-20230141403-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES XDH, MYD88, IKZF3 PTK6 2213/4885FYN 3892/4885KDR 4773/4885

“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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