SCHEMBL13054728

SCHEMBL13054728

Cc1cc(Nc2ccnc(Sc3ccc4c(=O)[nH][nH]c4c3)c2)n[nH]1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 13/20 0.42
▸ AURKB Q96GD4 10/20 0.42
▸ SYK P43405 4/20 0.38
▸ FLT4 P35916 2/20 0.38
▸ KDR P35968 2/20 0.38
▸ SRC P12931 5/20 0.36
▸ GSK3B P49841 4/20 0.36
▸ DHODH Q02127 1/20 0.36
▸ ITK Q08881 1/20 0.35
▸ AURKC Q9UQB9 1/20 0.35
▸ RIPK2 O43353 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ INSR P06213 1/20 0.35
▸ IGF1R P08069 1/20 0.35

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
SCHEMBL13054726 0.84 PAK4 (0.46) AURKBSRCGSK3BIGF1R
SCHEMBL13054542 0.84 AURKA (0.45) AURKAAURKBSYKFLT4KDR
SCHEMBL13054717 0.82 AURKA (0.42) AURKAAURKBSYKSRCGSK3B
SCHEMBL13054789 0.79 AURKA (0.39) AURKAAURKBSYKFLT4KDR
SCHEMBL13220909 0.79 SYK (0.38) AURKAAURKBSYKSRCGSK3B
SCHEMBL13054917 0.78 SYK (0.39) AURKAAURKBSYKFLT4KDR
SCHEMBL13054708 0.78 AURKA (0.52) AURKAAURKBSRCGSK3BAURKC
SCHEMBL13054730 0.77 GSK3B (0.52) AURKAAURKBSRCGSK3BAURKC
SCHEMBL12430993 0.77 AURKB (0.69) AURKAAURKBSYKSRCGSK3B
SCHEMBL14423715 0.75 AURKA (0.49) AURKAAURKBSYKSRCGSK3B

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 18/4885SYK 50/4885

“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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