SCHEMBL4693193

SCHEMBL4693193

COCCNCc1ccc2nc3sc(C(=O)NCC(C)(C)C)cn3c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 3/20 0.46
ITK Q08881 1/20 0.37
METTL3 Q86U44 3/20 0.37
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CHEK1 O14757 1/20 0.36
ACSS2 Q9NR19 1/20 0.35
TBK1 Q9UHD2 1/20 0.35
HRH3 Q9Y5N1 2/20 0.34
CYP1A2 P05177 2/20 0.34
HPGD P15428 2/20 0.34
CYP2C19 P33261 2/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
CYP2C9 P11712 1/20 0.34
RAB9A P51151 1/20 0.34
AVPR1B P47901 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ABL1 P00519 1/20 0.34

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
SCHEMBL4693196 0.93 ITK (0.42) GRM1ITKMETTL3ALDH1A1POLB
SCHEMBL7241303 0.86 GRM1 (0.51) GRM1ITKMETTL3ALDH1A1POLB
Hydrochloric Acid SCHEMBL7241479 0.85 GRM1 (0.51) GRM1ITKMETTL3ALDH1A1POLB
SCHEMBL4688812 0.85 GRM1 (0.42) GRM1METTL3ALDH1A1POLBACSS2
Hydrochloric Acid SCHEMBL4692163 0.83 GRM1 (0.39) GRM1ITKMETTL3ACSS2RAB9A
SCHEMBL4692387 0.82 METTL3 (0.41) GRM1ITKMETTL3ACSS2CYP1A2
Hydrochloric Acid SCHEMBL4694732 0.82 METTL3 (0.40) GRM1ITKMETTL3ACSS2CYP1A2
SCHEMBL7233822 0.81 GRM1 (0.50) GRM1ITKMETTL3ALDH1A1ACSS2
Hydrochloric Acid SCHEMBL7231897 0.81 GRM1 (0.49) GRM1ITKMETTL3ALDH1A1ACSS2
SCHEMBL4691765 0.80 GRM1 (0.38) GRM1ITKMETTL3ACSS2TBK1

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 3595/4885METTL3 476/4885

“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.