SCHEMBL3570877

SCHEMBL3570877

Cn1ccc2ncnc(Oc3ccc([N+](=O)[O-])cc3F)c21

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 4/20 0.44
KDR P35968 13/20 0.43
S1PR4 O95977 1/20 0.43
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTK2 Q05397 2/20 0.40
AURKA O14965 1/20 0.40
PDGFRB P09619 1/20 0.40
KIT P10721 1/20 0.40
BRAF P15056 1/20 0.40
PDGFRA P16234 1/20 0.40
FLT1 P17948 1/20 0.40
TEK Q02763 1/20 0.40

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
SCHEMBL3572598 0.85 S1PR4 (0.41) HSPB1KDRS1PR4MAPTSMN1; SMN2
SCHEMBL3567745 0.81 S1PR4 (0.46) HSPB1S1PR4MAPT
SCHEMBL13166701 0.81 HSPB1 (0.44) HSPB1KDRS1PR4MAPTSMN1; SMN2
SCHEMBL31236698 0.80 S1PR4 (0.40) HSPB1KDRS1PR4MAPTSMN1; SMN2
SCHEMBL25253199 0.79 DUT (0.40) HSPB1KDRS1PR4MAPTSMN1; SMN2
SCHEMBL3562606 0.79 KDR (0.44) KDRPTK2AURKAPDGFRBKIT
SCHEMBL4285349 0.78 KDR (0.49) KDRPTK2AURKAPDGFRBKIT
SCHEMBL4049919 0.77 MET (0.56) HSPB1KDRS1PR4MAPTSMN1; SMN2
SCHEMBL18548554 0.77 TRPA1 (0.68) KDR
SCHEMBL3573708 0.77 TRPA1 (0.44) HSPB1KDRS1PR4MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781664-B1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE INC (CA) 2013-09-04 EP disclosed
US-8470850-B2 Inhibitors of VEGF receptor and HGF receptor signalling METHYLGENE INC. (CA) 2013-06-25 US disclosed
US-8470850-B2 Inhibitors of VEGF receptor and HGF receptor signalling METHYLGENE INC. (CA) 2013-06-25 US disclosed
US-8470850-B2 Inhibitors of VEGF receptor and HGF receptor signalling METHYLGENE INC. (CA) 2013-06-25 US disclosed
CN-101248080-B Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC 2012-09-05 CN disclosed
US-20100249145-A1 Inhibitors of VEGF Receptor and HGF Receptor Signaling METHYLGENE, INC. 2010-09-30 US disclosed
US-20100249145-A1 Inhibitors of VEGF Receptor and HGF Receptor Signaling METHYLGENE, INC. 2010-09-30 US disclosed
US-7790729-B2 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2010-09-07 US disclosed
US-7790729-B2 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2010-09-07 US disclosed
US-20100216766-A1 Inhibitors of VEGF Receptor and HGF Receptor Signalling 92229129 QUEBEC INC. (CA) 2010-08-26 US disclosed
US-20100216766-A1 Inhibitors of VEGF Receptor and HGF Receptor Signalling 92229129 QUEBEC INC. (CA) 2010-08-26 US disclosed
US-20100216766-A1 Inhibitors of VEGF Receptor and HGF Receptor Signalling 92229129 QUEBEC INC. (CA) 2010-08-26 US disclosed
US-7772247-B2 Substituted thieno[3,2-d]pyridines as inhibitors of the VEGF receptor and HGF receptor METHYLGENE INC. (CA) 2010-08-10 US disclosed
US-7772247-B2 Substituted thieno[3,2-d]pyridines as inhibitors of the VEGF receptor and HGF receptor METHYLGENE INC. (CA) 2010-08-10 US disclosed
US-20090137580-A1 Fused Heterocyclic Derivatives and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 US disclosed
CN-101248080-A Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC (CA) 2008-08-20 CN disclosed
CN-101031570-A Inhibitors of vegf receptor and hgf receptor signaling METHYLGENE INC (CA) 2007-09-05 CN disclosed
US-20060287343-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE, INC. 2006-12-21 US disclosed
US-20060074056-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. (CA) 2006-04-06 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 (5 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-20060074056-A1 Inhibitors of VEGF receptor and HGF receptor signaling HGF, MET, FLT1 HSPB1 2247/4885KDR 4/4885S1PR4 732/4885
US-20060287343-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING HGF, MET, FLT1 HSPB1 2247/4885KDR 4/4885S1PR4 732/4885
US-20100249145-A1 Inhibitors of VEGF Receptor and HGF Receptor Signaling HGF, MET, FLT1 HSPB1 2247/4885KDR 4/4885S1PR4 732/4885
US-20100216766-A1 Inhibitors of VEGF Receptor and HGF Receptor Signalling HGF, MET, FLT1 HSPB1 2216/4885KDR 4/4885S1PR4 793/4885
US-20090137580-A1 Fused Heterocyclic Derivatives and Use Thereof TIE1, KDR, FLT1 HSPB1 3766/4885KDR 2/4885S1PR4 1217/4885

“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.