SCHEMBL25447130

SCHEMBL25447130

COc1ccc(-c2cnc3c(Nc4ccc(S(=O)(=O)NCCOCCNC(=O)OC(C)(C)C)c(Cl)c4)nccn23)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.38
▸ EGFR P00533 3/20 0.37
▸ ITK Q08881 1/20 0.37
▸ PTK6 Q13882 1/20 0.35
▸ AXL P30530 2/20 0.34
▸ ALOX5AP P20292 1/20 0.34
▸ FEN1 P39748 1/20 0.34
▸ AURKB Q96GD4 1/20 0.33
▸ SLC16A3 O15427 1/20 0.33
▸ CFTR P13569 1/20 0.33
▸ BUB1 O43683 1/20 0.33
▸ SUV39H2 Q9H5I1 1/20 0.32
▸ GPBAR1 Q8TDU6 1/20 0.32
▸ P2RX3 P56373 1/20 0.32
▸ BCL6 P41182 1/20 0.31
▸ IGF1R P08069 1/20 0.31
▸ HDAC3 O15379 1/20 0.31
▸ HDAC4 P56524 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC7 Q8WUI4 1/20 0.31

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
SCHEMBL25447126 0.93 BRD4 (0.39) BRD4EGFRITKAXLALOX5AP
SCHEMBL30371863 0.93 BRD4 (0.39) BRD4EGFRITKAXLALOX5AP
SCHEMBL25447135 0.90 BRD4 (0.37) BRD4EGFRITKAXLALOX5AP
SCHEMBL24105196 0.89 EGFR (0.34) EGFRPTK6BCL6
Hydrochloric Acid SCHEMBL25174188 0.88 EGFR (0.34) EGFRPTK6BCL6
SCHEMBL30167900 0.88 EGFR (0.35) EGFRPTK6AURKBBCL6IGF1R
SCHEMBL24105197 0.88 EGFR (0.35) EGFRPTK6AURKBBCL6IGF1R
SCHEMBL25176452 0.86 BRD4 (0.36) BRD4EGFRITKPTK6AURKB
SCHEMBL25170907 0.86 MAPT (0.34) BRD4PTK6
SCHEMBL30385261 0.85 BRD4 (0.39) BRD4EGFRITKPTK6AXL

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
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

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 BRD4 805/4885EGFR 1449/4885ITK 1184/4885

“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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