SCHEMBL10276050

SCHEMBL10276050

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
ADORA2B P29275 1/20 0.33
ALOX5AP P20292 2/20 0.33
FEN1 P39748 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CA12 O43570 1/20 0.30
CA2 P00918 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CA9 Q16790 1/20 0.30
SLC22A6 Q4U2R8 1/20 0.30
SLC22A8 Q8TCC7 1/20 0.30
ABCC2 Q92887 1/20 0.30
SLC22A12 Q96S37 1/20 0.30
UGT1A7 Q9HAW7 1/20 0.30
SLC22A11 Q9NSA0 1/20 0.30
PTGS2 P35354 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
SCHEMBL10275523 0.87 MEN1 (0.34) MEN1LMNAKMT2AADORA2BALOX5AP
SCHEMBL10275520 0.87 MEN1 (0.34) MEN1LMNAKMT2AADORA2BALOX5AP
SCHEMBL10276502 0.81 PDE3B (0.33) ALOX5APFEN1
SCHEMBL10275748 0.80 APP (0.35) ALOX5APFEN1
SCHEMBL10276618 0.80 KDM4E (0.35) MEN1KMT2AALOX5APFEN1RAB9A
SCHEMBL10275359 0.79 PDE3B (0.36) ALOX5APFEN1
SCHEMBL10313539 0.76 MEN1 (0.33) MEN1KMT2ASMN1; SMN2
SCHEMBL10275570 0.75 LMNA (0.35) MEN1LMNAKMT2AADORA2BPTGDR2
SCHEMBL10276232 0.75 LMNA (0.33) MEN1LMNAKMT2A
SCHEMBL10276329 0.73 PDE3B (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 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.