SCHEMBL4850071

SCHEMBL4850071

CCCc1nc2c(s1)Nc1ccccc1NC2=S

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 7/20 0.37
TLR7 Q9NYK1 4/20 0.37
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
TP53 P04637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPK14 Q16539 1/20 0.32
GAA P10253 1/20 0.31

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
SCHEMBL4836413 0.92 TLR8 (0.40) TLR8TLR7ALDH1A1MAPTSMN1; SMN2
SCHEMBL4836617 0.88 MAPK14 (0.35) TLR8TLR7ALDH1A1MAPTSMN1; SMN2
SCHEMBL4838609 0.82 TLR8 (0.41) TLR8TLR7
SCHEMBL4839165 0.71 GAA (0.41) ALDH1A1MAPTLMNAGAA
SCHEMBL4836588 0.71 ALDH1A1 (0.32) ALDH1A1
SCHEMBL4837079 0.71 ALDH1A1 (0.32) ALDH1A1
SCHEMBL4844199 0.68 BTK (0.36)
SCHEMBL12844164 0.63 ALDH1A1 (0.55) ALDH1A1MAPTTP53
SCHEMBL12511 0.60 UBE2T (0.61) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL4836569 0.60 CHRM2 (0.45) ALDH1A1LMNANPSR1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7384934-B2 Piperazine substituted aryl benzodiazepines ELI LILLY AND COMPANY (US) 2008-06-10 US disclosed
US-7384934-B2 Piperazine substituted aryl benzodiazepines ELI LILLY AND COMPANY (US) 2008-06-10 US disclosed
EP-1546134-B1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES LILLY CO ELI (US) 2007-05-02 EP disclosed
EP-1546134-B1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES LILLY CO ELI (US) 2007-05-02 EP disclosed
US-20060084643-A1 Piperazine substituted aryl benzodiazepines ELI LILLY AND COMPANY 2006-04-20 US 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-20060084643-A1 Piperazine substituted aryl benzodiazepines GABBR1, GABBR2, GABRA5 TLR8 2797/4885TLR7 979/4885ALDH1A1 215/4885

“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.