SCHEMBL5246397

SCHEMBL5246397

O=C(Nc1cccc(C(=O)c2ccc3cnn(C=Cc4ccccn4)c3c2)c1)c1ccncc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.57
FGFR1 P11362 2/20 0.51
LCK P06239 1/20 0.51
KCNK3 O14649 3/20 0.47
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
KCNK9 Q9NPC2 2/20 0.43
CES1 P23141 3/20 0.42

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
SCHEMBL5251699 0.95 KDR (0.55) KDRFGFR1LCKKCNK3MEN1
SCHEMBL5247440 0.91 KDR (0.56) KDRFGFR1LCKKCNK3MEN1
SCHEMBL5254358 0.90 KDR (0.59) KDRFGFR1LCKKCNK3MEN1
SCHEMBL5251813 0.90 MEN1 (0.47) KDRFGFR1LCKKCNK3MEN1
SCHEMBL5249872 0.89 KDR (0.56) KDRFGFR1LCKKCNK3POLB
SCHEMBL5250793 0.88 KDR (0.45) KDRFGFR1LCK
SCHEMBL6280548 0.87 KDR (0.44) KDRFGFR1LCKKCNK3MEN1
SCHEMBL5253004 0.87 KDR (0.51) KDRFGFR1LCKMEN1POLB
SCHEMBL5254066 0.87 KMT2A (0.48) KDRFGFR1LCKKCNK3MEN1
SCHEMBL5255793 0.86 MEN1 (0.57) KDRFGFR1LCKKCNK3MEN1

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 9 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-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-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

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-20050124662-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use CDK3, BRAF, ROCK1 KDR 60/4885FGFR1 262/4885LCK 39/4885
US-20040220248-A1 INDAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PROTEIN KINASES, AND METHODS FOR THEIR USE CDK3, BRAF, ROCK1 KDR 60/4885FGFR1 262/4885LCK 39/4885

“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.