SCHEMBL4694779

SCHEMBL4694779

CN(CC(C)(C)C)C(=O)c1cn2c(nc3cc(CN)ccc32)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 3/20 0.40
ITK Q08881 3/20 0.37
INSR P06213 2/20 0.37
HDAC3 O15379 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
HDAC4 P56524 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
HDAC1 Q13547 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 1/20 0.32
TUBA1A Q71U36 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 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
SCHEMBL4694778 0.92 GRM1 (0.47) GRM1ITKINSRHDAC3TUBB4A
SCHEMBL4693948 0.90 GRM1 (0.40) GRM1ITKINSRHDAC3TUBB4A
Hydrochloric Acid SCHEMBL4690812 0.88 GRM1 (0.39) GRM1ITKINSRHDAC3TUBB4A
SCHEMBL4688576 0.83 GRM1 (0.38) GRM1HDAC3HDAC4HDAC1HDAC7
SCHEMBL7237434 0.83 GRM1 (0.61) GRM1ITKINSRHDAC3TUBB4A
SCHEMBL7241308 0.82 GRM1 (0.44) GRM1ITKINSRHDAC3HDAC4
SCHEMBL4693943 0.82 GRM1 (0.48) GRM1HDAC3TUBB4ATUBBTUBA3C
Hydrochloric Acid SCHEMBL7241481 0.81 GRM1 (0.43) GRM1ITKINSRHDAC3HDAC4
SCHEMBL4688067 0.81 GRM1 (0.38) GRM1ITKINSR
SCHEMBL7233838 0.80 GRM1 (0.43) GRM1ITKINSRHDAC6

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.