Sugi Predict

Sugi Predict / Compounds / SCHEMBL5250227

SCHEMBL5250227

SCHEMBL5250227

C[Si](C)(C)CCOCn1nc(/C=C/c2ccccc2)c2ccc(Nc3cccc([N+](=O)[O-])c3)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 3/20 0.38
▸ KMT2A Q03164 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ GLA P06280 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ LCK P06239 1/20 0.37
▸ LYN P07948 1/20 0.37
▸ SRC P12931 1/20 0.37
▸ CSK P41240 1/20 0.37
▸ BTK Q06187 1/20 0.37
▸ PTK6 Q13882 1/20 0.37
▸ ABCG2 Q9UNQ0 9/20 0.36
▸ ABCB1 P08183 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ PDE5A O76074 1/20 0.34
▸ ABCC1 P33527 1/20 0.34
▸ MEN1 O00255 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
SCHEMBL5250230 1.00 NFE2L2 (0.38) NFE2L2KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL5211188 0.89 NFE2L2 (0.39) NFE2L2KMT2ASMN1; SMN2ALDH1A1GAA
SCHEMBL5211192 0.89 NFE2L2 (0.39) NFE2L2KMT2ASMN1; SMN2ALDH1A1GAA
SCHEMBL5249416 0.88 SMN1; SMN2 (0.39) KMT2ASMN1; SMN2ALDH1A1GAAMEN1
SCHEMBL5249412 0.88 SMN1; SMN2 (0.39) KMT2ASMN1; SMN2ALDH1A1GAAMEN1
SCHEMBL6503644 0.86 AKR1C3 (0.38) NFE2L2KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL5247700 0.85 KDR (0.48) KMT2AKDM4EGAABTKMEN1
SCHEMBL5247703 0.85 KDR (0.48) KMT2AKDM4EGAABTKMEN1
SCHEMBL5246448 0.85 KDR (0.39) NFE2L2KMT2ASMN1; SMN2ALDH1A1POLB
SCHEMBL5246758 0.85 ALDH1A1 (0.39) NFE2L2KMT2ASMN1; SMN2ALDH1A1MEN1

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 NFE2L2 1417/4885KMT2A 4601/4885SMN1; SMN2 4854/4885
US-20050124662-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use CDK3, BRAF, ROCK1 NFE2L2 1417/4885KMT2A 4601/4885SMN1; SMN2 4854/4885
US-20040220248-A1 INDAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PROTEIN KINASES, AND METHODS FOR THEIR USE CDK3, BRAF, ROCK1 NFE2L2 1417/4885KMT2A 4601/4885SMN1; SMN2 4854/4885

“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.