SCHEMBL8563151

SCHEMBL8563151

CC(C)(C)c1nccn1CCN1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.39
KCNH2 Q12809 4/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 2/20 0.38
CYP1A2 P05177 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
HTR2A P28223 1/20 0.38
SCN1A P35498 1/20 0.38
HTR2B P41595 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
HSD17B10 Q99714 2/20 0.37
MAPK13 O15264 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
SCHEMBL14553277 0.79 ALDH1A1 (0.51) SIGMAR1SMN1; SMN2KCNH2KMT2AALDH1A1
SCHEMBL10272811 0.76 ALDH1A1 (0.42) SIGMAR1CYP3A4CYP2D6SMN1; SMN2KCNH2
SCHEMBL13166801 0.76 TSHR (0.41) SIGMAR1CYP3A4CYP2D6SMN1; SMN2KCNH2
SCHEMBL8983983 0.76 MAPK13 (0.39) SIGMAR1CYP3A4CYP2D6SMN1; SMN2KCNH2
SCHEMBL2060316 0.76 TLR8 (0.49) SIGMAR1CYP3A4CYP2D6SMN1; SMN2KCNH2
SCHEMBL11967287 0.75 SMN1; SMN2 (0.50) SIGMAR1SMN1; SMN2KCNH2MEN1KMT2A
SCHEMBL18905838 0.74 KMT2A (0.44) KCNH2KMT2AALDH1A1
SCHEMBL4959749 0.73 SMN1; SMN2 (0.40) SIGMAR1CYP3A4CYP2D6SMN1; SMN2ALDH1A1
SCHEMBL18923817 0.72 ALDH1A1 (0.46) SIGMAR1CYP2D6SMN1; SMN2KCNH2ALDH1A1
Bromide SCHEMBL6182786 0.71 KCNH2 (0.40) SMN1; SMN2KCNH2KMT2AALDH1A1

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
US-8470850-B2 Inhibitors of VEGF receptor and HGF receptor signalling METHYLGENE INC. (CA) 2013-06-25 US disclosed
US-8329726-B2 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2012-12-11 US disclosed
US-20120083482-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE INC. 2012-04-05 US disclosed
US-8093264-B2 Fused heterocycles as inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2012-01-10 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-20080255155-A1 KINASE INHIBITORS AND USES THEREOF METHLYGENE INC. (CA) 2008-10-16 US disclosed
US-20080064718-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2008-03-13 US disclosed
US-20080004273-A1 Inhibitors of protein tyrosine kinase activity METHYLGENE, INC. (CA) 2008-01-03 US disclosed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 US disclosed
EP-0571253-B1 Benzimidazole derivatives with antidiabetic and antiplatelet aggregation activity ADIR (FR) 1998-11-04 EP 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 (7 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-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling HGF, MET, FLT1 SIGMAR1 2096/4885CYP3A4 4279/4885CYP2D6 4501/4885
US-20120083482-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING HGF, MET, KDR SIGMAR1 650/4885CYP3A4 1615/4885CYP2D6 1443/4885
US-20100249145-A1 Inhibitors of VEGF Receptor and HGF Receptor Signaling HGF, MET, FLT1 SIGMAR1 2096/4885CYP3A4 4279/4885CYP2D6 4501/4885
US-20100216766-A1 Inhibitors of VEGF Receptor and HGF Receptor Signalling HGF, MET, FLT1 SIGMAR1 2116/4885CYP3A4 4228/4885CYP2D6 4436/4885
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF ABL1, MAP3K20, MAP3K1 SIGMAR1 4683/4885CYP3A4 4445/4885CYP2D6 4176/4885
US-20080064718-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY HGF, ERBB2, MET SIGMAR1 3727/4885CYP3A4 4549/4885CYP2D6 4360/4885
US-20080004273-A1 Inhibitors of protein tyrosine kinase activity HGF, ERBB2, MET SIGMAR1 3727/4885CYP3A4 4549/4885CYP2D6 4360/4885

“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.