SCHEMBL6133812

SCHEMBL6133812

CC(C)n1nc(-c2c(-c3ccc(S(C)(=O)=O)cc3)nc(N)nc2[S+](C)[O-])ccc1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.35
IKBKB O14920 1/20 0.35
CHUK O15111 1/20 0.35
GHSR Q92847 7/20 0.34
PIK3CD O00329 2/20 0.33
ABL1 P00519 2/20 0.33
EGFR P00533 2/20 0.33
HCK P08631 2/20 0.33
SRC P12931 2/20 0.33
KDR P35968 2/20 0.33
PIK3CA P42336 2/20 0.33
MTOR P42345 2/20 0.33
PIK3CG P48736 2/20 0.33
EPHB4 P54760 2/20 0.33
PRKDC P78527 2/20 0.33
PI4KB Q9UBF8 2/20 0.33
PIK3CB P42338 1/20 0.33
JAK2 O60674 1/20 0.33
DHFR P00374 1/20 0.33
HRH3 Q9Y5N1 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
SCHEMBL6133707 0.89 HRH3 (0.33) HRH3ADORA2AADORA1
SCHEMBL6134875 0.88 ADORA2A (0.40) ADORA2AADORA1
SCHEMBL6133833 0.88 ADORA2A (0.41) ADORA2AADORA1
SCHEMBL6134041 0.83 PTGS2 (0.35) PTGS2IKBKBCHUKGHSRPIK3CD
SCHEMBL6133695 0.83 IKBKB (0.37) PTGS2IKBKBCHUKGHSRPIK3CD
SCHEMBL6134202 0.77 PIK3CA (0.35) PIK3CDABL1EGFRHCKSRC
SCHEMBL6133522 0.77 BMPR1B (0.31)
SCHEMBL6135100 0.76 ADORA2A (0.44) ADORA2AADORA1
SCHEMBL6134394 0.74 ADORA2A (0.40) ADORA2AADORA1
SCHEMBL6134544 0.72 ADORA2A (0.46) DHFRADORA2AADORA1

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.