SCHEMBL13054536

SCHEMBL13054536

O=c1[nH][nH]c2cc(Nc3cc4ccccc4c(Nc4cc(C5CC5)[nH]n4)n3)ccc12

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 4/20 0.48
PDK1 Q15118 1/20 0.47
ULK2 Q8IYT8 1/20 0.47
PAK4 O96013 2/20 0.46
PAK1 Q13153 2/20 0.46
SRC P12931 3/20 0.45
GSK3B P49841 3/20 0.45
AURKB Q96GD4 1/20 0.45
NTRK1 P04629 2/20 0.44
CCNA2 P20248 3/20 0.43
CDK2 P24941 3/20 0.43
IGF1R P08069 2/20 0.43
NTRK3 Q16288 1/20 0.41
NTRK2 Q16620 1/20 0.41
CCNA1 P78396 1/20 0.41

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
SCHEMBL13054443 0.85 ULK1 (0.69) ULK1PDK1ULK2PAK4PAK1
SCHEMBL13054541 0.84 PAK4 (0.47) ULK1PAK4PAK1SRCIGF1R
SCHEMBL13925100 0.84 ULK1 (0.48) ULK1PDK1ULK2PAK4PAK1
SCHEMBL13054498 0.84 SRC (0.46) ULK1PDK1ULK2PAK4PAK1
SCHEMBL12431083 0.83 ULK1 (0.58) ULK1PDK1ULK2PAK4PAK1
SCHEMBL14423491 0.83 NTRK1 (0.48) ULK1PAK4PAK1SRCGSK3B
SCHEMBL13054770 0.83 PAK4 (0.44) ULK1PAK4PAK1SRCGSK3B
SCHEMBL13054711 0.83 SRC (0.47) ULK1PAK4PAK1SRCGSK3B
SCHEMBL13054460 0.82 ULK1 (0.69) ULK1PDK1ULK2PAK4PAK1
SCHEMBL13054459 0.82 ULK1 (0.71) ULK1PDK1ULK2PAK4PAK1

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 ULK1 585/4885PDK1 422/4885ULK2 385/4885

“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.