SCHEMBL6134041

SCHEMBL6134041

CSc1nc(N)nc(-c2ccc(S(C)(=O)=O)cc2)c1-c1ccc(=O)n(C(C)C)n1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.35
IKBKB O14920 1/20 0.35
CHUK O15111 1/20 0.35
GHSR Q92847 6/20 0.35
PTGS1 P23219 3/20 0.34
JAK2 O60674 1/20 0.34
PIK3CD O00329 1/20 0.34
ABL1 P00519 1/20 0.34
EGFR P00533 1/20 0.34
HCK P08631 1/20 0.34
SRC P12931 1/20 0.34
KDR P35968 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
MTOR P42345 1/20 0.34
PIK3CG P48736 1/20 0.34
EPHB4 P54760 1/20 0.34
PRKDC P78527 1/20 0.34
PI4KB Q9UBF8 1/20 0.34

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
SCHEMBL6134761 0.89 BMPR1B (0.33) PIK3CAMTOR
SCHEMBL6134309 0.87 ADORA2A (0.41)
SCHEMBL6133889 0.86 ADORA2A (0.42)
SCHEMBL6133522 0.85 BMPR1B (0.31)
SCHEMBL6133695 0.84 IKBKB (0.37) PTGS2IKBKBCHUKGHSRPTGS1
SCHEMBL6133812 0.83 PTGS2 (0.35) PTGS2IKBKBCHUKGHSRJAK2
SCHEMBL6135100 0.77 ADORA2A (0.44)
SCHEMBL6134904 0.76 ADORA2A (0.42)
SCHEMBL6133508 0.76 MTOR (0.37) PIK3CDABL1EGFRHCKSRC
SCHEMBL6133848 0.75 ADORA2A (0.39) KDR

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-20050043315-A1 Aminopyrimidine compounds, processes for their preparation and pharmaceutical compositions containing them ASTELLAS PHARMA INC. (JP) 2005-02-24 US disclosed
WO-2003057689-A1 AMINOPYRIMIDINE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-17 WO 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-20050043315-A1 Aminopyrimidine compounds, processes for their preparation and pharmaceutical compositions containing them ADORA2B, ADORA2A, ADORA1 PTGS2 290/4885IKBKB 3103/4885CHUK 1817/4885

“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.