SCHEMBL5482654

SCHEMBL5482654

COCc1cc(Nc2ccc(N(C)C)cc2)nc(-c2cccc(C)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
ALDH1A1 P00352 4/20 0.46
BLM P54132 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 2/20 0.42
GBA1 P04062 2/20 0.42
RAB9A P51151 1/20 0.42
PDE4B Q07343 2/20 0.41
LMNA P02545 3/20 0.41
MAPK1 P28482 3/20 0.41
MAPT P10636 2/20 0.41
USP2 O75604 2/20 0.41
TP53 P04637 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL5484679 0.87 ABCG2 (0.50) MEN1KMT2AALDH1A1BLML3MBTL1
SCHEMBL5477134 0.83 MEN1 (0.61) MEN1KMT2AALDH1A1NPC1GBA1
SCHEMBL5476447 0.81 ABCG2 (0.60) MEN1KMT2AALDH1A1BLML3MBTL1
SCHEMBL6847663 0.76 ABCG2 (0.48) MEN1KMT2AALDH1A1L3MBTL1NPC1
SCHEMBL5483472 0.75 KMT2A (0.46) MEN1KMT2AALDH1A1BLML3MBTL1
SCHEMBL5482971 0.74 KMT2A (0.48) MEN1KMT2AALDH1A1BLML3MBTL1
SCHEMBL5486577 0.74 MEN1 (0.44) MEN1KMT2AALDH1A1BLML3MBTL1
SCHEMBL5483462 0.72 LMNA (0.48) MEN1KMT2AALDH1A1BLML3MBTL1
SCHEMBL5483669 0.71 ABCG2 (0.69) MEN1KMT2AL3MBTL1NPC1GBA1
SCHEMBL23586190 0.69 PDE4B (0.62) MEN1KMT2AALDH1A1NPC1GBA1

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
US-7226927-B2 Substituted 2-aryl-4-arylaminopyrimidines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2007-06-05 US disclosed
EP-1351691-A4 SUBSTITUTED 2-ARYL-4-ARYLAMINOPYRIMIDINES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA INC (US) 2005-06-22 EP disclosed
US-20040097503-A1 Substituted 2-aryl-4-arylaminopyrimidines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2004-05-20 US disclosed
US-6716851-B2 ANTICANCER AGENTS CYTOVIA, INC. 2004-04-06 US disclosed
EP-1351691-A1 SUBSTITUTED 2-ARYL-4-ARYLAMINOPYRIMIDINES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2003-10-15 EP disclosed
US-20030069239-A1 Substituted 2-aryl-4-arylaminopyrimidines and analogs as activators or caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2003-04-10 US disclosed
WO-2002047690-A1 SUBSTITUTED 2-ARYL-4-ARYLAMINOPYRIMIDINES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2002-06-20 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-20030069239-A1 Substituted 2-aryl-4-arylaminopyrimidines and analogs as activators or caspases and inducers of apoptosis and the use thereof API5, CASP2, APAF1 MEN1 3698/4885KMT2A 3054/4885ALDH1A1 176/4885
US-20040097503-A1 Substituted 2-aryl-4-arylaminopyrimidines and analogs as activators of caspases and inducers of apoptosis and the use thereof API5, CASP2, APAF1 MEN1 3741/4885KMT2A 3108/4885ALDH1A1 172/4885

“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.