SCHEMBL3565425

SCHEMBL3565425

CN(C)C(=O)c1cc2c(Cl)ncnc2n1C

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
GAA P10253 2/20 0.44
KDM4E B2RXH2 1/20 0.44
PABPC1 P11940 1/20 0.44
HPGD P15428 1/20 0.44
CASP1 P29466 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
JAK2 O60674 4/20 0.38
SLC22A12 Q96S37 1/20 0.36

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
SCHEMBL31516455 0.83 KDM4E (0.42) ALDH1A1GAAKDM4EHPGDJAK2
SCHEMBL13167052 0.83 KDM4E (0.42) ALDH1A1GAAKDM4EHPGDJAK2
SCHEMBL3560749 0.82 KDM4E (0.41) ALDH1A1GAAKDM4EHPGDJAK2
Lithium Ion SCHEMBL3560748 0.81 JAK2 (0.39) JAK2SLC22A12
SCHEMBL28674155 0.76 JAK2 (0.44) ALDH1A1KDM4EHSD17B10JAK2
SCHEMBL24672007 0.71 SLC22A12 (0.39) ALDH1A1PABPC1HPGDHTTHSD17B10
SCHEMBL12410481 0.71 SELE (0.35) ALDH1A1KDM4EHPGDCASP1HTT
SCHEMBL17148436 0.69 SELE (0.34) ALDH1A1SLC22A12
SCHEMBL5560155 0.69 ADORA2A (0.35) ALDH1A1GAAHTTSLC22A12
SCHEMBL3574559 0.69 TRPA1 (0.38) ALDH1A1GAAKDM4EPABPC1HPGD

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 8 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-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-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-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 (4 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 ALDH1A1 1649/4885GAA 1146/4885KDM4E 4094/4885
US-20060287343-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING HGF, MET, FLT1 ALDH1A1 1649/4885GAA 1146/4885KDM4E 4094/4885
US-20100249145-A1 Inhibitors of VEGF Receptor and HGF Receptor Signaling HGF, MET, FLT1 ALDH1A1 1649/4885GAA 1146/4885KDM4E 4094/4885
US-20100216766-A1 Inhibitors of VEGF Receptor and HGF Receptor Signalling HGF, MET, FLT1 ALDH1A1 1821/4885GAA 1197/4885KDM4E 4091/4885

“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.