SCHEMBL13055209

SCHEMBL13055209

O=c1[nH][nH]c2ccc(-c3nc(Nc4cc(C5CC5)[nH]n4)nc(-c4ccccc4)n3)cc12

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 1/20 0.48
▸ CCNA2 P20248 3/20 0.48
▸ CDK2 P24941 3/20 0.48
▸ SRC P12931 2/20 0.48
▸ GSK3B P49841 2/20 0.48
▸ ULK1 O75385 1/20 0.45
▸ CCNA1 P78396 1/20 0.43
▸ NEK1 Q96PY6 1/20 0.43

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
SCHEMBL802688 0.84 IGF1R (0.63) IGF1RCCNA2CDK2SRCGSK3B
SCHEMBL801668 0.77 IGF1R (0.53) IGF1RCCNA2CDK2SRCGSK3B
SCHEMBL13054491 0.77 ULK1 (0.69) IGF1RCCNA2CDK2SRCGSK3B
SCHEMBL13054888 0.77 IGF1R (0.62) IGF1R
SCHEMBL13055261 0.76 IGF1R (0.38) IGF1RCCNA2CDK2SRCGSK3B
SCHEMBL13055236 0.76 ULK1 (0.38) IGF1RCCNA2CDK2ULK1CCNA1
SCHEMBL13055229 0.75 IKBKE (0.38) IGF1RCCNA2CDK2CCNA1NEK1
SCHEMBL14423530 0.75 AURKA (0.49) IGF1RSRCGSK3B
SCHEMBL13054450 0.75 ULK1 (0.57) IGF1RCCNA2CDK2SRCGSK3B
SCHEMBL802295 0.74 IGF1R (0.57) IGF1RCCNA2CDK2SRCGSK3B

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 687/4885CCNA2 333/4885CDK2 2/4885

“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