SCHEMBL5246902

SCHEMBL5246902

COCOc1ccc(-c2ccc3c(C=Cc4ccc([N+](=O)[O-])cc4)nn(COCC[Si](C)(C)C)c3c2)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.42
CYP19A1 P11511 1/20 0.42
MAPT P10636 10/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 3/20 0.38
GAA P10253 1/20 0.38
TLR9 Q9NR96 1/20 0.37
NPC1 O15118 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
CA2 P00918 1/20 0.34
CA5A P35218 1/20 0.34
CA9 Q16790 1/20 0.34
PTGS1 P23219 1/20 0.34
NTSR1 P30989 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL5246898 1.00 PTGS2 (0.42) PTGS2CYP19A1MAPTSMN1; SMN2ALDH1A1
SCHEMBL5250921 0.88 KDR (0.36) ALDH1A1LMNANPC1RAB9ANPSR1
SCHEMBL5250919 0.88 KDR (0.36) ALDH1A1LMNANPC1RAB9ANPSR1
SCHEMBL5211192 0.80 NFE2L2 (0.39) CYP19A1MAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL5211188 0.80 NFE2L2 (0.39) CYP19A1MAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL5249360 0.77 EGFR (0.35) MAPTSMN1; SMN2ALDH1A1LMNANPC1
SCHEMBL5252700 0.76 CHEK1 (0.56) PTGS2CYP19A1MAPTSMN1; SMN2ALDH1A1
SCHEMBL5252704 0.76 CHEK1 (0.56) PTGS2CYP19A1MAPTSMN1; SMN2ALDH1A1
SCHEMBL5247119 0.75 PTPN1 (0.41) MAPTSMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL5247115 0.75 PTPN1 (0.41) MAPTSMN1; SMN2ALDH1A1LMNAGAA

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 10 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-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 PTGS2 405/4885CYP19A1 1494/4885MAPT 812/4885
US-20050124662-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use CDK3, BRAF, ROCK1 PTGS2 405/4885CYP19A1 1494/4885MAPT 812/4885
US-20040220248-A1 INDAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PROTEIN KINASES, AND METHODS FOR THEIR USE CDK3, BRAF, ROCK1 PTGS2 405/4885CYP19A1 1494/4885MAPT 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.