SCHEMBL10013451

SCHEMBL10013451

c1csc(-c2ccc3c(ccc4c3ccc3c5ccc(-c6nccs6)cc5ccc34)c2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.50
LOXL2 Q9Y4K0 1/20 0.49
ADRB2 P07550 1/20 0.45
CYP2A6 P11509 1/20 0.44
CHEK1 O14757 1/20 0.42
RAB9A P51151 1/20 0.41
SMPD3 Q9NY59 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HDAC2 Q92769 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
CHEK2 O96017 1/20 0.38
LRRK2 Q5S007 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36

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
SCHEMBL10013455 1.00 PDPK1 (0.50) PDPK1LOXL2ADRB2CYP2A6CHEK1
SCHEMBL10013454 0.98 PDPK1 (0.52) PDPK1LOXL2ADRB2CYP2A6CHEK1
SCHEMBL27636147 0.90 PDPK1 (0.53) PDPK1LOXL2ADRB2CYP2A6CHEK1
SCHEMBL13142475 0.88 PDPK1 (0.57) PDPK1LOXL2ADRB2CYP2A6CHEK1
SCHEMBL26259866 0.86 PDPK1 (0.55) PDPK1LOXL2ADRB2CYP2A6CHEK1
SCHEMBL10013463 0.86 PDPK1 (0.47) PDPK1LOXL2ADRB2CYP2A6CHEK1
SCHEMBL10013450 0.85 PDPK1 (0.53) PDPK1LOXL2ADRB2CYP2A6CHEK1
SCHEMBL10013449 0.85 PDPK1 (0.53) PDPK1LOXL2ADRB2CYP2A6CHEK1
SCHEMBL10013458 0.85 PDPK1 (0.53) PDPK1LOXL2ADRB2CYP2A6CHEK1
SCHEMBL27498039 0.83 LOXL2 (0.39) PDPK1LOXL2ADRB2CYP2A6CHEK1

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
US-8148543-B2 A benzene or polycondensed aromatic ring substituted with substituted thiazole groups; storage stability and high ON current CANON KABUSHIKI KAISHA (JP) 2012-04-03 US disclosed
US-8148543-B2 A benzene or polycondensed aromatic ring substituted with substituted thiazole groups; storage stability and high ON current CANON KABUSHIKI KAISHA (JP) 2012-04-03 US disclosed
US-20080087884-A1 ORGANIC SEMICONDUCTOR MATERIAL AND ORGANIC THIN-FILM TRANSISTOR CANON KABUSHIKI KAISHA (JP) 2008-04-17 US disclosed
US-20080087884-A1 ORGANIC SEMICONDUCTOR MATERIAL AND ORGANIC THIN-FILM TRANSISTOR CANON KABUSHIKI KAISHA (JP) 2008-04-17 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-20080087884-A1 ORGANIC SEMICONDUCTOR MATERIAL AND ORGANIC THIN-FILM TRANSISTOR SLC19A2, TCP1, TTI1 PDPK1 1680/4885LOXL2 2463/4885ADRB2 2016/4885

“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.