SCHEMBL10275579

SCHEMBL10275579

CCCN(CCC)S(=O)(=O)c1ccc(-c2cc(=O)n3nc(C)c(-c4ccc(F)cc4F)c3[nH]2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
ADORA2B P29275 1/20 0.36
PTGS2 P35354 2/20 0.35
KIT P10721 7/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
PTGS1 P23219 1/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33
MAPK13 O15264 1/20 0.32
RAF1 P04049 1/20 0.32
MAPK9 P45984 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 0.32
BRD4 O60885 1/20 0.32
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
RAB9A P51151 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
SCHEMBL10275898 0.85 ADORA2B (0.39) MEN1LMNAKMT2AADORA2BPTGS2
SCHEMBL10275647 0.83 ADORA2B (0.38) MEN1LMNAKMT2AADORA2BPTGS2
SCHEMBL10313567 0.82 CHRNA7 (0.37) MEN1LMNAKMT2AADORA2BPTGDR2
SCHEMBL10313566 0.81 PTGS2 (0.37) MEN1LMNAKMT2AADORA2BPTGS2
SCHEMBL10276014 0.80 PGR (0.38) MEN1KMT2AADORA2BPTGS2KIT
SCHEMBL10276073 0.79 ALDH1A1 (0.44) MEN1KMT2AKITPGRNR3C2
SCHEMBL10276122 0.79 PLAT (0.40) PGRNR3C2RAB9ASMN1; SMN2MAPT
SCHEMBL10280465 0.78 GCGR (0.40) KMT2APGRNR3C2MAPK14BRD4
SCHEMBL10275987 0.77 LMNA (0.36) MEN1LMNAKMT2AADORA2BPTGS2
SCHEMBL10275515 0.77 RAB9A (0.38) MEN1LMNAKMT2AADORA2BPTGS2

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 4 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
WO-2011035518-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF 辽宁利锋科技开发有限公司 (CN) 2011-03-31 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-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF TYMP, TYMS, ADORA3 MEN1 4229/4885LMNA 1504/4885KMT2A 4649/4885

“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.