SCHEMBL6655466

SCHEMBL6655466

c1ccc2sc([N]c3nc4ccccc4s3)nc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.54
HSD17B10 Q99714 3/20 0.54
ALDH1A1 P00352 2/20 0.54
ADRA2A P08913 1/20 0.54
FBP1 P09467 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
DRD2 P14416 1/20 0.54
ALOX15 P16050 1/20 0.54
ADRA2B P18089 1/20 0.54
ADRA2C P18825 1/20 0.54
DRD1 P21728 1/20 0.54
MC5R P33032 1/20 0.54
OPRM1 P35372 1/20 0.54
DRD3 P35462 1/20 0.54
OPRK1 P41145 1/20 0.54
CCR2 P41597 1/20 0.54
HTR6 P50406 1/20 0.54
SLC6A3 Q01959 1/20 0.54
PDK1 Q15118 1/20 0.54
TDP1 Q9NUW8 1/20 0.54

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
SCHEMBL1506734 0.88 INSR (0.65) HPGDHSD17B10ALDH1A1ADRA2AFBP1
SCHEMBL31314986 0.88 INSR (0.65) HPGDHSD17B10ALDH1A1ADRA2AFBP1
SCHEMBL4983319 0.87 INSR (0.51) HPGDHSD17B10ALDH1A1ADRA2AFBP1
SCHEMBL1222858 0.85 INSR (0.49) HPGDHSD17B10ALDH1A1ADRA2AFBP1
SCHEMBL19849828 0.85 HPGD (0.49) HPGDHSD17B10ALDH1A1ADRA2AFBP1
SCHEMBL10894663 0.85 INSR (0.51) HPGDHSD17B10ALDH1A1ADRA2AFBP1
SCHEMBL1222861 0.85 HPGD (0.53) HPGDHSD17B10ALDH1A1ADRA2AFBP1
SCHEMBL10894657 0.85 INSR (0.49) HPGDHSD17B10ALDH1A1ADRA2AFBP1
SCHEMBL1304086 0.85 INSR (0.49) HPGDHSD17B10ALDH1A1ADRA2AFBP1
SCHEMBL6635403 0.85 INSR (0.53) HPGDHSD17B10ALDH1A1ADRA2AFBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2610248-B1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE BY MEANS OF COUPLING METHOD USING A PALLADIUM COMPOUND TEIJIN PHARMA LTD (JP) 2016-06-08 EP disclosed
US-8916714-B2 Method for producing phenyl-substituted heterocyclic derivative by means of coupling method using palladium compound TEIJIN PHARMA LIMITED (JP) 2014-12-23 US disclosed
EP-2610248-A1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE BY MEANS OF COUPLING METHOD USING A PALLADIUM COMPOUND Teijin Pharma Limited (JP) 2013-07-03 EP disclosed
US-20130158272-A1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE BY MEANS OF COUPLING METHOD USING PALLADIUM COMPOUND TEIJIN PHARMA LIMITED (JP) 2013-06-20 US disclosed
EP-0864573-B1 Silacyclopentadiene derivatives CHISSO CORP (JP) 2004-06-23 EP disclosed
US-6005128-A Silacyclopentadiene derivative CHISSO CORPORATION (JP) 1999-12-21 US disclosed
EP-0864573-A2 Silacyclopentadiene derivative CHISSO CORPORATION (JP) 1998-09-16 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-20130158272-A1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE BY MEANS OF COUPLING METHOD USING PALLADIUM COMPOUND XDH, AOC1, PAH HPGD 158/4885HSD17B10 59/4885ALDH1A1 150/4885

“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.