SCHEMBL5249333

SCHEMBL5249333

CNC(C(=O)Nc1cccc(C(=O)c2ccc3cnn(C=Cc4ccccc4)c3c2)c1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.58
ALDH1A1 P00352 5/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.39
ROCK2 O75116 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
THRB P10828 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL5248461 0.91 KDR (0.49) KDRALDH1A1MAPTKDM4EPOLB
SCHEMBL5247789 0.88 KDR (0.55) KDRALDH1A1MAPTMEN1KMT2A
SCHEMBL5253582 0.81 KDR (0.41) KDRALDH1A1
SCHEMBL5251588 0.81 KDR (0.41) KDRALDH1A1
SCHEMBL5249872 0.80 KDR (0.56) KDRMAPTPOLBROCK2KMT2A
SCHEMBL5255512 0.79 KCNK3 (0.51) KDRMEN1KMT2A
SCHEMBL5254004 0.79 KDR (0.60) KDRMAPTPOLBMEN1KMT2A
SCHEMBL6492253 0.79 KDR (0.60) KDRMAPTPOLBMEN1KMT2A
SCHEMBL5247750 0.79 KDR (0.59) KDRKDM4EPOLBL3MBTL1
SCHEMBL5246823 0.78 KDR (0.44) KDRALDH1A1MAPTMEN1KMT2A

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 11 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

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 60/4885ALDH1A1 2836/4885MAPT 812/4885
US-20050124662-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use CDK3, BRAF, ROCK1 KDR 60/4885ALDH1A1 2836/4885MAPT 812/4885
US-20040220248-A1 INDAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PROTEIN KINASES, AND METHODS FOR THEIR USE CDK3, BRAF, ROCK1 KDR 60/4885ALDH1A1 2836/4885MAPT 812/4885

“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.