SCHEMBL4690796

SCHEMBL4690796

CN(CC1OCCO1)C(=O)c1cn2c(nc3cc(CNC4COC4)ccc32)s1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 3/20 0.38
ITK Q08881 5/20 0.34
INSR P06213 3/20 0.34
TLR7 Q9NYK1 3/20 0.33
IL6 P05231 2/20 0.33
CNR2 P34972 1/20 0.33
NAMPT P43490 1/20 0.32
METTL3 Q86U44 2/20 0.32

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
Hydrochloric Acid SCHEMBL4688017 0.93 GRM1 (0.39) GRM1ITKINSRCNR2NAMPT
SCHEMBL4690792 0.93 GRM1 (0.44) GRM1ITKINSRTLR7IL6
SCHEMBL4688067 0.87 GRM1 (0.38) GRM1ITKINSRCNR2METTL3
Hydrochloric Acid SCHEMBL4688013 0.87 GRM1 (0.46) GRM1ITKINSRNAMPTMETTL3
Hydrochloric Acid SCHEMBL4691356 0.86 GRM1 (0.39) GRM1ITKINSRCNR2NAMPT
SCHEMBL4694711 0.85 GRM1 (0.42) GRM1ITKCNR2NAMPT
Hydrochloric Acid SCHEMBL4693204 0.84 GRM1 (0.38) GRM1ITKCNR2METTL3
Hydrochloric Acid SCHEMBL4691998 0.81 METTL3 (0.39) GRM1METTL3
SCHEMBL4688059 0.80 GRM1 (0.45) GRM1ITKINSRMETTL3
Hydrochloric Acid SCHEMBL4692131 0.80 GRM1 (0.40) GRM1ITKINSRCNR2METTL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1486501-B1 AMINOMETHYL-SUBSTITUTED THIAZOLOBENZIMIDAZOLE DERIVATIVE ASTELLAS PHARMA INC (JP) 2008-09-10 EP disclosed
US-7250429-B2 Aminomethyl-substituted thiazolobenzimidazole compounds ASTELLAS PHARMA INC. (JP) 2007-07-31 US disclosed
US-20050148642-A1 Aminomethyl-substituted thiazolobenzimidazole derivative ASTELLAS PHARMA INC. (JP) 2005-07-07 US disclosed
EP-1486501-A1 AMINOMETHYL-SUBSTITUTED THIAZOLOBENZIMIDAZOLE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2004-12-15 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 (1 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-20050148642-A1 Aminomethyl-substituted thiazolobenzimidazole derivative GRM1, GRIN1, GRM3 GRM1 1/4885ITK 3595/4885INSR 262/4885

“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.