SCHEMBL4693196

SCHEMBL4693196

COCCNCc1ccc2c(c1)nc1sc(C(=O)NCC(C)(C)C)cn12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 3/20 0.42
GRM1 Q13255 3/20 0.38
METTL3 Q86U44 3/20 0.37
CHEK1 O14757 1/20 0.36
INSR P06213 2/20 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
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ABL1 P00519 1/20 0.34
CYP3A4 P08684 1/20 0.34
RIN1 Q13671 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
SCHEMBL4693193 0.93 GRM1 (0.46) ITKGRM1METTL3CHEK1TBK1
SCHEMBL7241308 0.86 GRM1 (0.44) ITKGRM1METTL3CHEK1INSR
Hydrochloric Acid SCHEMBL7241481 0.85 GRM1 (0.43) ITKGRM1METTL3CHEK1INSR
SCHEMBL4688818 0.85 CNR2 (0.35) ITKGRM1METTL3INSRTBK1
Hydrochloric Acid SCHEMBL4692170 0.83 ITK (0.34) ITKGRM1METTL3INSR
SCHEMBL4693212 0.82 METTL3 (0.41) ITKGRM1METTL3
Hydrochloric Acid SCHEMBL4694736 0.82 METTL3 (0.40) ITKGRM1METTL3
SCHEMBL7233838 0.81 GRM1 (0.43) ITKGRM1METTL3INSRADORA2A
Hydrochloric Acid SCHEMBL7231905 0.81 GRM1 (0.42) ITKGRM1METTL3INSRADORA2A
SCHEMBL4691771 0.80 ITK (0.36) ITKGRM1TBK1CYP2C19LMNA

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 ITK 3595/4885GRM1 1/4885METTL3 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.