SCHEMBL10275987

SCHEMBL10275987

CCCN(CCC)S(=O)(=O)c1ccc(-c2c(C)c(=O)n3nc(C)c(-c4ccc(F)cc4F)c3n2C)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ADORA2B P29275 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
PTGS2 P35354 3/20 0.35
PGR P06401 2/20 0.34
NR3C2 P08235 2/20 0.34
BRD4 O60885 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
CA12 O43570 2/20 0.31
CA9 Q16790 2/20 0.31
CA2 P00918 1/20 0.31
RAB9A P51151 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

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
SCHEMBL10313566 0.85 PTGS2 (0.37) LMNAMEN1KMT2AADORA2BPTGDR2
SCHEMBL10275898 0.81 ADORA2B (0.39) LMNAMEN1KMT2AADORA2BPTGDR2
SCHEMBL10276067 0.81 PGR (0.39) MEN1KMT2AADORA2BPTGS2PGR
SCHEMBL10275794 0.79 PDE2A (0.39) PGRNR3C2SMN1; SMN2RAB9AKDM4E
SCHEMBL10275900 0.79 PGR (0.38) MEN1KMT2APGRNR3C2RAB9A
SCHEMBL10275293 0.78 KDM1A (0.39) PGRNR3C2
SCHEMBL10275647 0.78 ADORA2B (0.38) LMNAMEN1KMT2AADORA2BPTGDR2
SCHEMBL10275579 0.77 MEN1 (0.37) LMNAMEN1KMT2AADORA2BPTGDR2
SCHEMBL10275277 0.77 MEN1 (0.38) LMNAMEN1KMT2AADORA2BPTGDR2
SCHEMBL10313536 0.75 PGR (0.42) LMNAMEN1KMT2AADORA2BPGR

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 LMNA 1504/4885MEN1 4229/4885KMT2A 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.