SCHEMBL13054895

SCHEMBL13054895

O=c1[nH][nH]c2ccc(CNc3cc(Nc4cc(C5CC5)[nH]n4)ccn3)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PAK1 Q13153 4/20 0.45
▸ PAK4 O96013 3/20 0.45
▸ AKT1 P31749 1/20 0.42
▸ TGFBR1 P36897 1/20 0.42
▸ GSK3A P49840 1/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ STK4 Q13043 1/20 0.42
▸ STK3 Q13188 1/20 0.42
▸ BMPR2 Q13873 1/20 0.42
▸ STK26 Q9P289 1/20 0.42
▸ STK24 Q9Y6E0 1/20 0.42
▸ IGF1R P08069 6/20 0.40
▸ NEK1 Q96PY6 1/20 0.40
▸ NTRK1 P04629 4/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ YES1 P07947 1/20 0.40
▸ HCK P08631 1/20 0.40
▸ SRC P12931 1/20 0.40
▸ CCNK O75909 1/20 0.39
▸ CDK13 Q14004 1/20 0.39

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
SCHEMBL13054896 0.78 NTRK1 (0.51) PAK1PAK4GSK3BSTK3IGF1R
SCHEMBL12431091 0.76 IGF1R (0.63) PAK1PAK4AKT1TGFBR1GSK3A
SCHEMBL13054888 0.76 IGF1R (0.62) IGF1RNTRK1
SCHEMBL13054787 0.74 PAK4 (0.46) PAK1PAK4IGF1RNEK1ABL1
SCHEMBL13054726 0.74 PAK4 (0.46) PAK1PAK4GSK3BIGF1RNEK1
SCHEMBL13081885 0.72 PAK4 (0.42) PAK1PAK4AKT1TGFBR1GSK3A
SCHEMBL13054498 0.72 SRC (0.46) PAK1PAK4IGF1RNEK1ABL1
SCHEMBL14423727 0.71 NTRK1 (0.47) PAK1PAK4GSK3BIGF1RNTRK1
SCHEMBL14423442 0.71 NTRK1 (0.54) PAK1PAK4GSK3BSTK3IGF1R
SCHEMBL13054541 0.70 PAK4 (0.47) PAK1PAK4IGF1RNEK1ABL1

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 PAK1 327/4885PAK4 553/4885AKT1 173/4885

“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.

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