SCHEMBL5064157

SCHEMBL5064157

CSc1ncnc2sc(C3CC3)nc12

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MKNK1 Q9BUB5 5/20 0.37
CHRM4 P08173 2/20 0.35
NOTUM Q6P988 4/20 0.33
CYP1A2 P05177 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL5065447 0.75 ALDH1A1 (0.50) ALDH1A1LMNANOTUMCYP1A2TSHR
SCHEMBL4801016 0.70 ALDH1A1 (0.41) ALDH1A1LMNANOTUMCYP1A2TSHR
SCHEMBL16013462 0.70 MKNK1 (0.46) MKNK1CHRM4
SCHEMBL16013479 0.70 MKNK1 (0.46) MKNK1CHRM4
SCHEMBL4800416 0.70 ALDH1A1 (0.41) ALDH1A1LMNACYP1A2TSHR
SCHEMBL16013468 0.69 MKNK1 (0.46) MKNK1CHRM4
SCHEMBL5458654 0.69 ALDH1A1 (0.41) ALDH1A1LMNANOTUM
SCHEMBL656087 0.69 HRH2 (0.33) ALDH1A1MKNK1CHRM4TSHR
SCHEMBL5065400 0.69 IKBKB (0.44) ALDH1A1LMNACYP1A2
SCHEMBL1693615 0.69 PIK3CD (0.43) ALDH1A1LMNA

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 2 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
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 ALDH1A1 1911/4885LMNA 4401/4885MKNK1 2077/4885

“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.