Sugi Predict

Sugi Predict / Compounds / SCHEMBL13054789

SCHEMBL13054789

SCHEMBL13054789

Cc1cc(Nc2ccnc(Oc3ccc4c(=O)[nH][nH]c4c3)c2)n[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 9/20 0.39
▸ AURKB Q96GD4 6/20 0.39
▸ EGFR P00533 1/20 0.38
▸ DRD1 P21728 1/20 0.37
▸ SYK P43405 2/20 0.36
▸ DHODH Q02127 1/20 0.36
▸ ITK Q08881 1/20 0.35
▸ GSK3B P49841 2/20 0.35
▸ PIK3C3 Q8NEB9 2/20 0.35
▸ SRC P12931 1/20 0.35
▸ RIPK2 O43353 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ FLT4 P35916 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MPI P34949 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ HTT P42858 1/20 0.33

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
SCHEMBL13054787 0.84 PAK4 (0.46) PIK3C3SRC
SCHEMBL13054542 0.84 AURKA (0.45) AURKAAURKBSYKDHODHITK
SCHEMBL13054775 0.82 AURKA (0.42) AURKAAURKBEGFRITKGSK3B
SCHEMBL13054728 0.79 AURKA (0.42) AURKAAURKBEGFRSYKDHODH
SCHEMBL13054917 0.78 SYK (0.39) AURKAAURKBSYKDHODHITK
SCHEMBL13054766 0.78 AURKA (0.48) AURKAAURKBGSK3BSRC
SCHEMBL13054762 0.77 GSK3B (0.52) AURKAAURKBGSK3BSRC
SCHEMBL12431050 0.77 AURKA (0.55) AURKAAURKBEGFRSYKGSK3B
SCHEMBL13054763 0.73 AURKA (0.71) AURKAAURKBGSK3BSRC
SCHEMBL13054754 0.73 AURKA (0.46) AURKAAURKBEGFRITKGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842712-B2 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-30 — — US disclosed
US-7842712-B2 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-30 — — US disclosed
US-20090048250-A1 INDAZOLINONE COMPOSITIONS USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-02-19 — — US disclosed
US-20090048250-A1 INDAZOLINONE COMPOSITIONS USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-02-19 — — US disclosed
US-7262200-B2 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-08-28 — — US disclosed
US-7262200-B2 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-08-28 — — 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-20090048250-A1 INDAZOLINONE COMPOSITIONS USEFUL AS KINASE INHIBITORS LCK, CDK2, MKNK2 AURKA 10/4885AURKB 18/4885EGFR 1410/4885

“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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