SCHEMBL3757445

SCHEMBL3757445

Cc1cc(Nc2nc(Nc3ccc4c(=O)[nH][nH]c4c3)nc3ccccc23)[nH]n1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.47
SRC P12931 1/20 0.47
GSK3B P49841 1/20 0.47
NPY5R Q15761 6/20 0.46
SLC2A1 P11166 2/20 0.41
ULK1 O75385 4/20 0.41
SOS1 Q07889 2/20 0.41
PDK1 Q15118 1/20 0.41
ULK2 Q8IYT8 1/20 0.41
KMT2A Q03164 2/20 0.40
PKM P14618 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL3757345 0.88 AURKA (0.43) AURKASRCGSK3BNPY5RSLC2A1
SCHEMBL3761449 0.88 AURKA (0.38) AURKASRCGSK3BNPY5RSLC2A1
SCHEMBL3769675 0.88 AURKA (0.43) AURKASRCGSK3BNPY5RSLC2A1
SCHEMBL13054479 0.86 NPY5R (0.57) AURKASRCGSK3BNPY5RSLC2A1
SCHEMBL3757235 0.85 VRK1 (0.34) AURKASRCGSK3BULK1PDK1
SCHEMBL3774131 0.85 ALDH1A1 (0.42) AURKASRCGSK3BNPY5RSLC2A1
SCHEMBL3767353 0.85 ULK1 (0.47) AURKASRCGSK3BNPY5RULK1
SCHEMBL13054452 0.84 AURKA (0.70) AURKASRCGSK3B
SCHEMBL3767787 0.83 ULK1 (0.49) AURKASRCGSK3BNPY5RULK1
SCHEMBL3757377 0.83 ULK1 (0.51) AURKASRCGSK3BNPY5RULK1

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 4 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-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-20040167121-A1 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2004-08-26 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 (2 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-20040167121-A1 Indazolinone compositions useful as kinase inhibitors LCK, CDK2, CILK1 AURKA 7/4885SRC 108/4885GSK3B 24/4885
US-20090048250-A1 INDAZOLINONE COMPOSITIONS USEFUL AS KINASE INHIBITORS LCK, CDK2, MKNK2 AURKA 10/4885SRC 99/4885GSK3B 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.