SCHEMBL5069029

SCHEMBL5069029

CSCCN(Cc1ccc(-c2nc3c(SC)ncnc3s2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.34
SSTR4 P31391 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
NCOR2 Q9Y618 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
SCHEMBL5068892 0.92 SSTR4 (0.40) PAX8SSTR4HDAC3HDAC1HDAC2
SCHEMBL5068866 0.90 PAX8 (0.34) PAX8SSTR4HDAC3HDAC1HDAC2
SCHEMBL5064760 0.89 PAX8 (0.33) PAX8SSTR4HDAC3HDAC1HDAC2
SCHEMBL5067502 0.88 IKBKB (0.38) PAX8SSTR4HDAC3HDAC1HDAC2
SCHEMBL5061163 0.83 SSTR4 (0.37) PAX8SSTR4HDAC1
SCHEMBL14032002 0.82 PPARA (0.34) PAX8
SCHEMBL5064178 0.80 IKBKB (0.34) PAX8HDAC3HDAC1HDAC2NCOR2
SCHEMBL25737173 0.71 HDAC3 (0.51) HDAC3HDAC1HDAC2NCOR2
SCHEMBL5065400 0.68 IKBKB (0.44) PAX8
SCHEMBL30577124 0.64 HDAC1 (0.43) SSTR4HDAC3HDAC1HDAC2NCOR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269238-A1 Thiazolopyrimidine Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 US disclosed
US-20080269238-A1 Thiazolopyrimidine Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 US disclosed
EP-1731523-A1 THIAZOLOPYRIMIDINE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2006-12-13 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-20080269238-A1 Thiazolopyrimidine Derivative FGFR3, FGFR1, ERBB3 PAX8 2373/4885SSTR4 432/4885HDAC3 154/4885

“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.