SCHEMBL2826429

SCHEMBL2826429

Ic1ccc2c(I)n[nH]c2c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.39
PDPK1 O15530 6/20 0.38
JAK2 O60674 2/20 0.38
HSP90AB1 P08238 1/20 0.36
FGFR1 P11362 2/20 0.35
FGFR2 P21802 2/20 0.35
FGFR3 P22607 1/20 0.35
MAP2K4 P45985 2/20 0.34
ESR1 P03372 1/20 0.34
APP P05067 1/20 0.32
MAPT P10636 1/20 0.32
GPR17 Q13304 1/20 0.32
MAPK10 P53779 1/20 0.32
MAPK14 Q16539 1/20 0.32
PARP1 P09874 1/20 0.32
ITK Q08881 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
SCHEMBL5510618 0.83 NOS1 (0.44) NOS1PDPK1JAK2MAP2K4MAPK10
SCHEMBL24819259 0.81 PDPK1 (0.60) PDPK1JAK2
SCHEMBL18764465 0.79 PDPK1 (0.44) NOS1PDPK1JAK2HSP90AB1FGFR1
SCHEMBL14755254 0.79 AXL (0.49) PDPK1JAK2FGFR1FGFR2MAPT
SCHEMBL31735799 0.79 MAP2K4 (0.47) NOS1MAP2K4PARP1
SCHEMBL1330584 0.79 PDPK1 (0.63) NOS1PDPK1JAK2FGFR1MAPK14
SCHEMBL14737362 0.79 ITK (0.50) MAP2K4ITK
SCHEMBL2595185 0.79 MAP2K4 (0.56) MAP2K4ITK
SCHEMBL21937470 0.79 ADORA2A (0.46) NOS1PDPK1JAK2HSP90AB1FGFR1
SCHEMBL13184208 0.79 HSP90AB1 (0.59) PDPK1JAK2HSP90AB1FGFR1FGFR2

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016057834-A9 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2017-04-13 WO disclosed
WO-2016108106-A1 AN IMPROVED PROCESS FOR PREPARATION OF AXITINIB SHILPA MEDICARE LIMITED (IN) 2016-07-07 WO disclosed
EP-2163544-A1 Methods of preparing indazole compounds Pfizer, Inc. (US) 2010-03-17 EP disclosed
EP-2163544-A1 Methods of preparing indazole compounds Pfizer, Inc. (US) 2010-03-17 EP disclosed
EP-1614683-B1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMA (US) 2007-11-21 EP disclosed
EP-1218348-B1 INDAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PROTEIN KINASES, AND METHODS FOR THEIR USE AGOURON PHARMA (US) 2007-10-24 EP disclosed
CN-101052633-A Methods of preparing indazole compounds AGOURON PHARMA (US) 2007-10-10 CN disclosed
US-20070203196-A1 METHODS OF PREPARING INDAZOLE COMPOUNDS AGOURON PHARMACEUTICALS, INC. 2007-08-30 US disclosed
US-20070203196-A1 METHODS OF PREPARING INDAZOLE COMPOUNDS AGOURON PHARMACEUTICALS, INC. 2007-08-30 US disclosed
US-20070203196-A1 METHODS OF PREPARING INDAZOLE COMPOUNDS AGOURON PHARMACEUTICALS, INC. 2007-08-30 US disclosed
EP-1614683-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. (US) 2006-01-11 EP disclosed
US-20050124662-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS. INC. 2005-06-09 US disclosed
US-6891044-B2 Indazole compounds and pharmaceutical compositions for Inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. (US) 2005-05-10 US disclosed
US-6884890-B2 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. (US) 2005-04-26 US disclosed
US-20040220248-A1 INDAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PROTEIN KINASES, AND METHODS FOR THEIR USE KANIA ROBERT STEVEN (US) 2004-11-04 US disclosed
US-20040171634-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, LLC 2004-09-02 US disclosed
US-6534524-B1 Antiproliferative agents, including axitinib AGOURON PHARMACEUTICALS, INC. 2003-03-18 US disclosed
US-6531491-B1 Methods of treating cancer and other disease states associated with unwanted angiogenesis and/or cellular proliferation, such as diabetic retinopathy, neovascular glaucoma, rheumatoid arthritis, and psoriasis, AGOURON PHARAMACEUTICALS, INC. 2003-03-11 US disclosed
EP-1218348-A2 INDAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PROTEIN KINASES, AND METHODS FOR THEIR USE AGOURON PHARMACEUTICALS, INC. (US) 2002-07-03 EP disclosed
WO-2001002369-A2 INDAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PROTEIN KINASES, AND METHODS FOR THEIR USE AGOURON PHARMACEUTICALS, INC. (US) 2001-01-11 WO 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 (4 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-20040171634-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use CDK3, BRAF, ROCK1 NOS1 275/4885PDPK1 19/4885JAK2 123/4885
US-20070203196-A1 METHODS OF PREPARING INDAZOLE COMPOUNDS CDK1, CDK2, CCNI NOS1 1001/4885PDPK1 64/4885JAK2 788/4885
US-20050124662-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use CDK3, BRAF, ROCK1 NOS1 275/4885PDPK1 19/4885JAK2 123/4885
US-20040220248-A1 INDAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PROTEIN KINASES, AND METHODS FOR THEIR USE CDK3, BRAF, ROCK1 NOS1 275/4885PDPK1 19/4885JAK2 123/4885

“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.