SCHEMBL10275523

SCHEMBL10275523

CCCN(CCC)S(=O)(=O)c1ccc(C2=CC(=O)N3N=C(C)C=CC(c4ccc(F)cc4F)=CC3N2)cc1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
ADORA2B P29275 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA9 Q16790 1/20 0.30
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30

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
SCHEMBL10275520 1.00 MEN1 (0.34) MEN1LMNAKMT2AADORA2BL3MBTL1
SCHEMBL10276050 0.87 MEN1 (0.35) MEN1LMNAKMT2AADORA2BL3MBTL1
SCHEMBL10276613 0.82 PDE3B (0.32) ALOX5APFEN1
SCHEMBL10276615 0.82 PDE3B (0.32) ALOX5APFEN1
SCHEMBL10275619 0.81 KDM4E (0.34) MEN1KMT2AALOX5APFEN1
SCHEMBL10276187 0.81 APP (0.34) ALOX5APFEN1
SCHEMBL10275691 0.80 PDE3B (0.35) ALOX5APFEN1
SCHEMBL10313543 0.77 MEN1 (0.33) MEN1KMT2A
SCHEMBL10276298 0.76 KDM1A (0.34) ALOX5APFEN1
SCHEMBL10282681 0.74 ALOX5AP (0.34) ALOX5APFEN1

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 1 patent. 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

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.