SCHEMBL3264151

SCHEMBL3264151

CCCCCc1nccc(C(N)=O)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.39
TLR8 Q9NR97 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
LMNA P02545 2/20 0.37
CYP3A4 P08684 2/20 0.37
MAPT P10636 2/20 0.37
NR1I2 O75469 1/20 0.37
CHRM2 P08172 1/20 0.37
ADRA2A P08913 1/20 0.37
OPRK1 P41145 1/20 0.37
HTR2B P41595 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
XDH P47989 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
PKM P14618 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL13727788 0.98 MEN1 (0.39) DGAT1TLR8MEN1KMT2ALMNA
SCHEMBL3947074 0.95 ALDH1A1 (0.40) DGAT1TLR8MEN1KMT2ALMNA
SCHEMBL13728021 0.89 KDM4E (0.39) TLR8KMT2ALMNACYP3A4MAPT
SCHEMBL7066012 0.86 ALDH1A1 (0.46) MEN1KMT2ALMNACYP3A4MAPT
SCHEMBL29180667 0.83 ALDH1A1 (0.38) DGAT1TLR8MEN1KMT2ALMNA
SCHEMBL2826624 0.82 ADORA3 (0.37) KMT2ALMNAMAPTALDH1A1KDM4E
SCHEMBL3281281 0.81 KDM4E (0.51) MEN1KMT2ALMNACYP3A4MAPT
SCHEMBL13729259 0.80 SORD (0.40) LMNAKDM4ETSHR
SCHEMBL13412503 0.78 OPRM1 (0.34) KMT2ASLC6A3KDM4ETSHRMAPK1
SCHEMBL13728173 0.78 OPRM1 (0.40) ALDH1A1KDM4EHCAR2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1265866-B1 ARYL SUBSTITUTED PYRIDINES, PYRIMIDINES, PYRAZINES AND TRIAZINES AND THE USE THEREOF EURO CELTIQUE SA (LU) 2010-07-21 EP disclosed
US-6867210-B2 Aryl substituted pyrimidines EURO-CELTIQUE S.A. (LU) 2005-03-15 US disclosed
US-20050043305-A1 Aryl substituted pyridines, pyrimidines, pyrazines and triazines and the use thereof EURO-CELTIQUE S.A. (LU) 2005-02-24 US disclosed
WO-2004111011-A2 SYNTHESIS OF 2-ARYL PYRIMIDINE 4-CARBOXYLIC ACID AMIDES EURO-CELTIQUE S.A. (LU) 2004-12-23 WO disclosed
EP-1265866-A2 ARYL SUBSTITUTED PYRIDINES, PYRIMIDINES, PYRAZINES AND TRIAZINES AND THE USE THEREOF Euro-Celtique S.A. (LU) 2002-12-18 EP disclosed
US-20020040025-A1 Aryl substituted pyridines, pyrimidines, pyrazines and triazines and the use thereof PURDUE PHARMA L.P. 2002-04-04 US disclosed
WO-2001068612-A2 ARYL SUBSTITUTED PYRIDINES, PYRIMIDINES, PYRAZINES AND TRIAZINES AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2001-09-20 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 (2 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-20050043305-A1 Aryl substituted pyridines, pyrimidines, pyrazines and triazines and the use thereof CACNA1S, CACNA1C, KYNU DGAT1 4106/4885TLR8 3263/4885MEN1 4858/4885
US-20020040025-A1 Aryl substituted pyridines, pyrimidines, pyrazines and triazines and the use thereof CACNA1S, KYNU, CACNA1C DGAT1 3899/4885TLR8 3584/4885MEN1 4858/4885

“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.