SCHEMBL10275898

SCHEMBL10275898

CCCN(CCC)S(=O)(=O)c1ccc(-c2[nH]c3c(-c4ccc(F)cc4F)c(C)nn3c(=O)c2C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 1/20 0.39
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
PTGS2 P35354 7/20 0.35
PGR P06401 1/20 0.32
NR3C2 P08235 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
RAB9A P51151 1/20 0.31
CA9 Q16790 1/20 0.31
SLC22A6 Q4U2R8 1/20 0.31
SLC22A8 Q8TCC7 1/20 0.31
ABCC2 Q92887 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
UGT1A7 Q9HAW7 1/20 0.31
SLC22A11 Q9NSA0 1/20 0.31
NR3C1 P04150 1/20 0.31

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
SCHEMBL10313567 0.90 CHRNA7 (0.37) ADORA2BMEN1LMNAKMT2APTGDR2
SCHEMBL10275647 0.86 ADORA2B (0.38) ADORA2BMEN1LMNAKMT2APTGDR2
SCHEMBL10275579 0.85 MEN1 (0.37) ADORA2BMEN1LMNAKMT2APTGDR2
SCHEMBL10275643 0.85 CRHR1 (0.42) ADORA2B
SCHEMBL10275987 0.81 LMNA (0.36) ADORA2BMEN1LMNAKMT2APTGDR2
SCHEMBL10276103 0.81 PGR (0.37) MEN1KMT2APTGS2PGRNR3C2
SCHEMBL10275273 0.79 PLAT (0.40) PGRNR3C2SMN1; SMN2RAB9A
SCHEMBL10276488 0.79 MAPK14 (0.38) MEN1KMT2APGRNR3C2SMN1; SMN2
SCHEMBL10275295 0.78 MAPK14 (0.37) PGRNR3C2MAPK13MAPK12MAPK11
SCHEMBL10313566 0.77 PTGS2 (0.37) ADORA2BMEN1LMNAKMT2APTGDR2

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-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 US claimed
US-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 US disclosed
US-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 US 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-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF TYMP, TYMS, ADORA3 ADORA2B 86/4885MEN1 4229/4885LMNA 1504/4885

“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.