SCHEMBL13055236

SCHEMBL13055236

O=c1[nH][nH]c2ccc(-c3cnnc(Nc4cc(C5CCCC5)[nH]n4)n3)cc12

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ULK1 O75385 2/20 0.38
▸ IGF1R P08069 10/20 0.37
▸ PAK3 O75914 1/20 0.36
▸ PAK1 Q13153 1/20 0.36
▸ PAK2 Q13177 1/20 0.36
▸ PDK1 Q15118 1/20 0.36
▸ ULK2 Q8IYT8 1/20 0.36
▸ CCNA2 P20248 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CCNA1 P78396 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
SCHEMBL14423776 0.84 CDK2 (0.36) ULK1IGF1RPAK1CCNA2CDK2
SCHEMBL13055229 0.80 IKBKE (0.38) IGF1RPAK1CCNA2CDK2CCNA1
SCHEMBL13055234 0.77 HCAR3 (0.32) IGF1R
SCHEMBL13055209 0.76 IGF1R (0.48) ULK1IGF1RCCNA2CDK2CCNA1
SCHEMBL13054888 0.70 IGF1R (0.62) IGF1R
SCHEMBL13055407 0.69 CDK2 (0.38) CCNA2CDK2CCNA1
SCHEMBL802347 0.69 IGF1R (0.46) IGF1RPAK1
SCHEMBL13055231 0.68 AURKA (0.40) —
SCHEMBL13055419 0.66 CCNA2 (0.38) PAK1CCNA2CDK2CCNA1
SCHEMBL13055226 0.66 IGF1R (0.39) IGF1R

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 585/4885IGF1R 687/4885PAK3 468/4885

“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.

Send feedback