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Sugi Predict / Compounds / SCHEMBL13054504

SCHEMBL13054504

SCHEMBL13054504

Cc1cc(Nc2nc(Nc3ccc4c(=O)[nH][nH]c4c3)nc3c2CCN(Cc2ccccc2)C3)n[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 5/20 0.46
▸ AURKA O14965 7/20 0.42
▸ GSK3B P49841 2/20 0.41
▸ SRC P12931 1/20 0.41
▸ PAK4 O96013 3/20 0.40
▸ PLK4 O00444 2/20 0.40
▸ AURKB Q96GD4 5/20 0.39
▸ DAPK3 O43293 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ LCK P06239 1/20 0.39
▸ FYN P06241 1/20 0.39
▸ CSF1R P07333 1/20 0.39
▸ RET P07949 1/20 0.39
▸ PDGFRB P09619 1/20 0.39
▸ FGFR1 P11362 1/20 0.39
▸ FLT1 P17948 1/20 0.39
▸ LTK P29376 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ FLT3 P36888 1/20 0.39

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
SCHEMBL13054509 0.94 CLPP (0.43) IGF1RAURKAGSK3BSRCPAK4
SCHEMBL13054817 0.87 AURKA (0.46) IGF1RAURKAPAK4PLK4AURKB
SCHEMBL12430748 0.86 IGF1R (0.54) IGF1RAURKAGSK3BSRCPAK4
SCHEMBL13054505 0.81 IGF1R (0.50) IGF1RAURKAGSK3BSRCPAK4
SCHEMBL13054507 0.81 IGF1R (0.52) IGF1RAURKAGSK3BSRCPAK4
SCHEMBL12430751 0.80 AURKA (0.53) IGF1RAURKAGSK3BSRCPAK4
SCHEMBL13054510 0.79 AURKA (0.41) IGF1RAURKAGSK3BSRCPAK4
SCHEMBL12430747 0.79 IGF1R (0.49) IGF1RAURKAGSK3BSRCPAK4
SCHEMBL12430749 0.79 NTRK1 (0.49) IGF1RAURKAGSK3BSRCPAK4
SCHEMBL13054819 0.78 CLPP (0.42) AURKAAURKBCLPP

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 IGF1R 687/4885AURKA 10/4885GSK3B 28/4885

“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.