SCHEMBL10272811

SCHEMBL10272811

CCc1nccn1CCN1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
SIGMAR1 Q99720 3/20 0.42
MAPK1 P28482 2/20 0.42
CYP1A2 P05177 2/20 0.42
KCNH2 Q12809 2/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
HTR2A P28223 1/20 0.42
SCN1A P35498 1/20 0.42
HTR2B P41595 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN3A Q9NY46 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
TLR7 Q9NYK1 1/20 0.39
HSD17B10 Q99714 2/20 0.38
HPGD P15428 1/20 0.38
MAPK13 O15264 1/20 0.38

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 0.80 ALDH1A1 (0.51) ALDH1A1SIGMAR1MAPK1CYP1A2KCNH2
SCHEMBL2060316 0.80 TLR8 (0.49) ALDH1A1SIGMAR1MAPK1CYP1A2KCNH2
SCHEMBL5038274 0.79 GLA (0.45) ALDH1A1LMNASMN1; SMN2HSD17B10CYP2C19
SCHEMBL13166801 0.77 TSHR (0.41) ALDH1A1SIGMAR1MAPK1CYP1A2KCNH2
SCHEMBL8983983 0.77 MAPK13 (0.39) ALDH1A1SIGMAR1MAPK1CYP1A2KCNH2
SCHEMBL9866807 0.77 ALDH1A1 (0.46) ALDH1A1SIGMAR1MAPK1CYP1A2KCNH2
SCHEMBL8563151 0.76 SIGMAR1 (0.42) ALDH1A1SIGMAR1MAPK1CYP1A2KCNH2
SCHEMBL11967287 0.76 SMN1; SMN2 (0.50) ALDH1A1SIGMAR1MAPK1CYP1A2KCNH2
SCHEMBL18923817 0.76 ALDH1A1 (0.46) ALDH1A1SIGMAR1MAPK1CYP1A2KCNH2
SCHEMBL4233920 0.75 TLR8 (0.48) ALDH1A1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957498-B1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE INC (CA) 2017-02-15 EP 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 ALDH1A1 1649/4885SIGMAR1 2096/4885MAPK1 343/4885
US-20120083482-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING HGF, MET, KDR ALDH1A1 411/4885SIGMAR1 650/4885MAPK1 582/4885
US-20100249145-A1 Inhibitors of VEGF Receptor and HGF Receptor Signaling HGF, MET, FLT1 ALDH1A1 1649/4885SIGMAR1 2096/4885MAPK1 343/4885
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF ABL1, MAP3K20, MAP3K1 ALDH1A1 3553/4885SIGMAR1 4683/4885MAPK1 75/4885
US-20080064718-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY HGF, ERBB2, MET ALDH1A1 3139/4885SIGMAR1 3727/4885MAPK1 168/4885
US-20080004273-A1 Inhibitors of protein tyrosine kinase activity HGF, ERBB2, MET ALDH1A1 3139/4885SIGMAR1 3727/4885MAPK1 168/4885

“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.