SCHEMBL5249402

SCHEMBL5249402

O=Cc1n[nH]c2cc(C(=O)O)ccc12

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.53
CHEK1 O14757 2/20 0.53
MAP2K4 P45985 7/20 0.48
MAPK1 P28482 4/20 0.48
MAPK6 Q16659 4/20 0.48
MAPKAPK5 Q8IW41 1/20 0.45
FGFR1 P11362 1/20 0.45
ITK Q08881 1/20 0.43
MAPKAPK3 Q16644 2/20 0.42
PARP1 P09874 1/20 0.42
AAK1 Q2M2I8 1/20 0.41

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
SCHEMBL29955795 1.00 KDR (0.53) KDRCHEK1MAP2K4MAPK1MAPK6
SCHEMBL4500958 0.87 MAP2K4 (0.48) KDRCHEK1MAP2K4MAPK1MAPK6
SCHEMBL29957175 0.87 MAP2K4 (0.48) KDRCHEK1MAP2K4MAPK1MAPK6
SCHEMBL17439527 0.82 MAP2K4 (0.52) KDRCHEK1MAP2K4FGFR1PARP1
SCHEMBL3713185 0.79 KDR (0.62) KDRCHEK1FGFR1
SCHEMBL3713181 0.79 KDR (0.62) KDRCHEK1FGFR1
SCHEMBL1574004 0.78 MAP2K4 (0.59) KDRCHEK1MAP2K4MAPK1MAPK6
SCHEMBL922195 0.78 PDPK1 (0.53) MAP2K4MAPK1MAPK6MAPKAPK5ITK
SCHEMBL29955404 0.78 PDPK1 (0.54) KDRCHEK1FGFR1PARP1AAK1
SCHEMBL31746650 0.77 DYRK1A (0.52) MAP2K4MAPK1MAPK6MAPKAPK5ITK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-7141587-B2 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. (US) 2006-11-28 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 (3 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 KDR 60/4885CHEK1 320/4885MAP2K4 259/4885
US-20050124662-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use CDK3, BRAF, ROCK1 KDR 60/4885CHEK1 320/4885MAP2K4 259/4885
US-20040220248-A1 INDAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PROTEIN KINASES, AND METHODS FOR THEIR USE CDK3, BRAF, ROCK1 KDR 60/4885CHEK1 320/4885MAP2K4 259/4885

“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.