SCHEMBL4691765

SCHEMBL4691765

CC(C)(C)CNC(=O)c1cn2c(nc3ccc(C=O)cc32)s1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 3/20 0.38
CNR2 P34972 2/20 0.34
HDAC1 Q13547 2/20 0.32
ITK Q08881 1/20 0.32
ACSS2 Q9NR19 1/20 0.32
CNR1 P21554 1/20 0.31
ADORA2A P29274 1/20 0.31
METTL3 Q86U44 2/20 0.31
TSHR P16473 1/20 0.31
EPHX2 P34913 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
CYP2A6 P11509 1/20 0.30
IKBKE Q14164 1/20 0.30
AURKB Q96GD4 1/20 0.30
TBK1 Q9UHD2 1/20 0.30

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
SCHEMBL4691771 0.92 ITK (0.36) GRM1CNR2HDAC1ITKCNR1
SCHEMBL4688812 0.84 GRM1 (0.42) GRM1CNR2ACSS2CNR1ADORA2A
SCHEMBL4688569 0.81 GRM1 (0.43) GRM1HDAC1CYP2A6
SCHEMBL4693193 0.80 GRM1 (0.46) GRM1ITKACSS2ADORA2AMETTL3
SCHEMBL4688818 0.77 CNR2 (0.35) GRM1CNR2ITKCNR1ADORA2A
SCHEMBL4691974 0.77 GRM1 (0.39) GRM1
Hydrochloric Acid SCHEMBL4692163 0.77 GRM1 (0.39) GRM1CNR2ITKACSS2METTL3
SCHEMBL4692387 0.76 METTL3 (0.41) GRM1CNR2ITKACSS2CNR1
Hydrochloric Acid SCHEMBL4694732 0.75 METTL3 (0.40) GRM1CNR2ITKACSS2CNR1
Hydrochloric Acid SCHEMBL4694677 0.73 METTL3 (0.42) GRM1METTL3TSHR

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 1/4885CNR2 306/4885HDAC1 759/4885

“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.