SCHEMBL1377141

SCHEMBL1377141

Cc1nsc(NC(=O)c2ccccc2)n1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 7/20 0.68
RXFP1 Q9HBX9 1/20 0.63
NPC1 O15118 4/20 0.59
RAB9A P51151 4/20 0.59
PKM P14618 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.56
TP53 P04637 1/20 0.56
GRM1 Q13255 1/20 0.53
MAPT P10636 1/20 0.53
CYP2C9 P11712 1/20 0.52
LMNA P02545 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL29530821 0.81 ADORA3 (1.00) ADORA3RXFP1NPC1RAB9ASMN1; SMN2
SCHEMBL27622288 0.80 NPC1 (0.59) NPC1RAB9APKMSMN1; SMN2TP53
SCHEMBL31110030 0.79 NPC1 (0.55) ADORA3RXFP1NPC1RAB9ASMN1; SMN2
SCHEMBL30911334 0.79 ADORA3 (0.61) ADORA3RXFP1NPC1RAB9APKM
SCHEMBL3759738 0.79 GRM1 (0.49) ADORA3RXFP1NPC1RAB9ASMN1; SMN2
SCHEMBL5335555 0.77 ALDH1A1 (0.53) NPC1RAB9APKMSMN1; SMN2TP53
SCHEMBL8570794 0.77 ADORA3 (0.62) ADORA3RXFP1NPC1RAB9APKM
SCHEMBL9852280 0.77 ALDH1A1 (0.69) RXFP1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL11220429 0.77 ADORA3 (0.62) ADORA3RXFP1NPC1RAB9APKM
SCHEMBL31665226 0.77 ALDH1A1 (0.51) ADORA3RXFP1NPC1RAB9APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4651714-B2 2011-03-16 JP claimed
EP-1902052-A1 HETEROARYL BENZAMIDE DERIVATIVES FOR USE AS GLK ACTIVATORS IN THE TREATMENT OF DIABETES AstraZeneca AB (SE) 2008-03-26 EP claimed
WO-2007007041-A1 HETEROARYL BENZAMIDE DERIVATIVES FOR USE AS GLK ACTIVATORS IN THE TREATMENT OF DIABETES ASTRAZENECA AB (SE) 2007-01-18 WO claimed
US-20080312207-A1 Compounds SYNGENTA CROP PROTECTION AG (CH) 2008-12-18 US disclosed
EP-1902052-A1 HETEROARYL BENZAMIDE DERIVATIVES FOR USE AS GLK ACTIVATORS IN THE TREATMENT OF DIABETES AstraZeneca AB (SE) 2008-03-26 EP disclosed
WO-2007007041-A1 HETEROARYL BENZAMIDE DERIVATIVES FOR USE AS GLK ACTIVATORS IN THE TREATMENT OF DIABETES ASTRAZENECA AB (SE) 2007-01-18 WO 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-20080312207-A1 Compounds GRK4, PTGER4, GRK5 ADORA3 1295/4885RXFP1 273/4885NPC1 2021/4885

“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.