SCHEMBL13054855

SCHEMBL13054855

Cc1cc(Nc2cc(-c3ccco3)[nH]n2)nc(COc2ccc3c(=O)[nH][nH]c3c2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 5/20 0.44
LCK P06239 1/20 0.34
ITK Q08881 1/20 0.34
AURKB Q96GD4 1/20 0.34
FFAR1 O14842 1/20 0.33
DYRK1A Q13627 1/20 0.33
MAPT P10636 3/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 2/20 0.32
MEN1 O00255 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PDPK1 O15530 1/20 0.32
RET P07949 3/20 0.31
PIK3C3 Q8NEB9 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL13054867 0.93 IGF1R (0.44) IGF1RLCKITKAURKBFFAR1
SCHEMBL13054853 0.86 TNIK (0.39) IGF1RMAPTKMT2AMEN1KDM4E
SCHEMBL13608680 0.85 IGF1R (0.50) IGF1RLCKITKAURKBMAPT
SCHEMBL12430959 0.84 IGF1R (0.55) IGF1RLCKITKAURKBMAPT
SCHEMBL12430973 0.83 IGF1R (0.49) IGF1RLCKITKAURKBFFAR1
SCHEMBL12430964 0.83 IGF1R (0.49) IGF1RLCKITKAURKBFFAR1
SCHEMBL13054522 0.81 IGF1R (0.51) IGF1RLCKITKAURKB
SCHEMBL12430956 0.77 IGF1R (0.50) IGF1RLCKITKAURKBFFAR1
SCHEMBL13054918 0.77 PIK3C3 (0.44) AURKBRETPIK3C3CYP1A2CYP3A4
SCHEMBL13055164 0.77 IGF1R (0.47) IGF1RLCKITKAURKBMAPT

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 687/4885LCK 1/4885ITK 187/4885

“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.