SCHEMBL628873

SCHEMBL628873

CCN(CC)CCCNc1n[nH]c2ccc(OC)cc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.58
GSK3A P49840 1/20 0.58
GSK3B P49841 1/20 0.58
PAX8 Q06710 1/20 0.57
KIT P10721 1/20 0.57
ALDH1A1 P00352 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
FLT3 P36888 5/20 0.48
HTR1A P08908 1/20 0.48
FADS1 O60427 1/20 0.47
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
NSD2 O96028 1/20 0.45
L3MBTL3 Q96JM7 1/20 0.45
USP2 O75604 1/20 0.43
APP P05067 1/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 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
SCHEMBL6600355 0.85 KIT (0.44) NQO1GSK3AGSK3BPAX8KIT
SCHEMBL10370291 0.84 GSK3B (0.51) NQO1GSK3AGSK3BPAX8KIT
SCHEMBL10368522 0.84 KIT (0.55) NQO1GSK3AGSK3BPAX8KIT
SCHEMBL10369093 0.84 FLT3 (0.49) NQO1GSK3AGSK3BPAX8FLT3
SCHEMBL10367980 0.84 GAA (0.43) NQO1GSK3AGSK3BPAX8KIT
Hydrochloric Acid SCHEMBL10371672 0.83 KIT (0.54) NQO1GSK3AGSK3BPAX8KIT
Hydrochloric Acid SCHEMBL10369413 0.83 GAA (0.44) NQO1GSK3AGSK3BPAX8KIT
Hydrochloric Acid SCHEMBL10370615 0.83 GSK3B (0.50) NQO1GSK3AGSK3BPAX8KIT
SCHEMBL10367587 0.81 GAA (0.55) NQO1GSK3AGSK3BPAX8KIT
SCHEMBL25259753 0.77 HTR1A (0.59) NQO1GSK3AGSK3BPAX8KIT

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1506176-B1 AMINOINDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PFIZER ITALIA SRL (IT) 2013-04-24 EP disclosed
EP-1820503-B1 Aminoindazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions containing them PFIZER ITALIA SRL (IT) 2012-02-22 EP disclosed
EP-1432416-B1 AMINOINDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PFIZER ITALIA SRL (IT) 2011-01-19 EP disclosed
US-7632854-B2 Aminoindazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2009-12-15 US disclosed
US-7511136-B2 Aminoindazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2009-03-31 US disclosed
EP-1820503-A2 Aminoindazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions containing them Pfizer Italia S.r.l. (IT) 2007-08-22 EP disclosed
US-20060106083-A1 Aminoindazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PHARMACIA ITALIA S.P.A. (IT) 2006-05-18 US disclosed
EP-1506176-A1 AMINOINDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2005-02-16 EP disclosed
US-20040254177-A1 Aminoindazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions containing them NERVIANO MEDICAL SCIENCES S.R.L (IT) 2004-12-16 US disclosed
EP-1432416-A1 AMINOINDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Pharmacia Italia S.p.A. (IT) 2004-06-30 EP disclosed
WO-2003097610-A1 AMINOINDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2003-11-27 WO disclosed
WO-2003028720-A1 AMINOINDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PHARMACIA ITALIA S.P.A. (IT) 2003-04-10 WO disclosed
EP-0090972-B1 INDAZOLE DERIVATIVES Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1990-05-30 EP disclosed
US-4533731-A ANTIINFLAMMATORY AGENTS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1985-08-06 US disclosed
EP-0090972-A2 Indazole derivatives Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1983-10-12 EP 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 (2 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-20060106083-A1 Aminoindazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K15, MAP3K3, MAP3K20 NQO1 2783/4885GSK3A 109/4885GSK3B 96/4885
US-20040254177-A1 Aminoindazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions containing them MAP3K15, MAP3K3, MAP3K5 NQO1 3029/4885GSK3A 137/4885GSK3B 143/4885

“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.