SCHEMBL13054896

SCHEMBL13054896

O=c1[nH][nH]c2ccc(CNc3cc(Nc4cc(C5CC5)[nH]n4)c4ccccc4n3)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 3/20 0.51
▸ NTRK3 Q16288 1/20 0.45
▸ NTRK2 Q16620 1/20 0.45
▸ IGF1R P08069 3/20 0.43
▸ GSK3B P49841 3/20 0.43
▸ PAK4 O96013 2/20 0.43
▸ DYRK3 O43781 1/20 0.43
▸ JAK2 O60674 1/20 0.43
▸ PRKD3 O94806 1/20 0.43
▸ MAP4K4 O95819 1/20 0.43
▸ ABL1 P00519 1/20 0.43
▸ LCK P06239 1/20 0.43
▸ FYN P06241 1/20 0.43
▸ CSF1R P07333 1/20 0.43
▸ RET P07949 1/20 0.43
▸ MET P08581 1/20 0.43
▸ ROS1 P08922 1/20 0.43
▸ FGFR1 P11362 1/20 0.43
▸ PRKACA P17612 1/20 0.43
▸ FLT1 P17948 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
SCHEMBL13925100 0.81 ULK1 (0.48) NTRK1NTRK3NTRK2IGF1RGSK3B
SCHEMBL13054901 0.81 NTRK1 (0.47) NTRK1NTRK3NTRK2IGF1RGSK3B
SCHEMBL13054888 0.80 IGF1R (0.62) NTRK1IGF1R
SCHEMBL12431078 0.79 IGF1R (0.58) NTRK1NTRK3NTRK2IGF1RGSK3B
SCHEMBL14423442 0.79 NTRK1 (0.54) NTRK1NTRK3NTRK2IGF1RGSK3B
SCHEMBL13054895 0.78 PAK1 (0.45) NTRK1IGF1RGSK3BPAK4ABL1
SCHEMBL13055187 0.77 PAK4 (0.44) NTRK1IGF1RGSK3BPAK4AURKB
SCHEMBL13054764 0.75 PAK4 (0.44) NTRK1NTRK3NTRK2IGF1RGSK3B
SCHEMBL14423727 0.75 NTRK1 (0.47) NTRK1NTRK3NTRK2IGF1RGSK3B
SCHEMBL13054704 0.75 SRC (0.46) NTRK1NTRK3NTRK2GSK3BPAK4

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 NTRK1 1279/4885NTRK3 1952/4885NTRK2 1334/4885

“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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