SCHEMBL13055229

SCHEMBL13055229

O=c1[nH][nH]c2ccc(-c3cnnc(Nc4cc(C5CC5)[nH]n4)c3)cc12

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ IKBKE Q14164 1/20 0.38
▸ TBK1 Q9UHD2 1/20 0.38
▸ PAK4 O96013 2/20 0.37
▸ PAK1 Q13153 2/20 0.37
▸ SYK P43405 1/20 0.37
▸ CCNA2 P20248 2/20 0.36
▸ CDK2 P24941 2/20 0.36
▸ CCNA1 P78396 2/20 0.36
▸ NEK1 Q96PY6 1/20 0.36
▸ IGF1R P08069 1/20 0.36

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 0.96 CDK2 (0.36) IKBKETBK1PAK4PAK1SYK
SCHEMBL13055236 0.80 ULK1 (0.38) PAK1CCNA2CDK2CCNA1IGF1R
SCHEMBL802344 0.78 NEK1 (0.51) CCNA2CDK2CCNA1NEK1IGF1R
SCHEMBL13055209 0.75 IGF1R (0.48) CCNA2CDK2CCNA1NEK1IGF1R
SCHEMBL13055419 0.69 CCNA2 (0.38) PAK4PAK1CCNA2CDK2CCNA1
SCHEMBL13054888 0.69 IGF1R (0.62) IGF1R
SCHEMBL13054541 0.69 PAK4 (0.47) PAK4PAK1NEK1IGF1R
SCHEMBL13081885 0.69 PAK4 (0.42) PAK4PAK1NEK1IGF1R
SCHEMBL13054895 0.69 PAK1 (0.45) PAK4PAK1NEK1IGF1R
SCHEMBL13054498 0.68 SRC (0.46) PAK4PAK1CCNA2CDK2CCNA1

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 IKBKE 233/4885TBK1 434/4885PAK4 553/4885

“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