SCHEMBL5486371

SCHEMBL5486371

COc1ccc(Nc2cc(C)nc(-c3ccccc3)n2)cc1

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 16/20 0.78
ABCB1 P08183 9/20 0.76
ABCC1 P33527 9/20 0.76
MEN1 O00255 2/20 0.74
NPC1 O15118 2/20 0.74
GBA1 P04062 2/20 0.74
KMT2A Q03164 2/20 0.74
RAB9A P51151 2/20 0.74
MAPT P10636 1/20 0.62
SLC2A1 P11166 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62

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
SCHEMBL5483669 0.88 ABCG2 (0.69) ABCG2ABCB1ABCC1MEN1NPC1
SCHEMBL21977560 0.87 ABCG2 (1.00) ABCG2ABCB1ABCC1MEN1NPC1
SCHEMBL390423 0.86 ABCG2 (0.74) ABCG2ABCB1ABCC1MEN1NPC1
SCHEMBL5481520 0.85 ESR1 (0.64) ABCG2ABCB1ABCC1MEN1NPC1
SCHEMBL16391835 0.83 ABCG2 (0.68) ABCG2ABCB1ABCC1MEN1NPC1
SCHEMBL5484058 0.82 MEN1 (0.77) ABCG2MEN1KMT2ARAB9AMAPT
SCHEMBL5489502 0.82 ABCG2 (0.64) ABCG2ABCB1ABCC1MEN1NPC1
SCHEMBL21979438 0.81 ABCG2 (0.82) ABCG2ABCB1ABCC1MEN1NPC1
SCHEMBL14987901 0.81 ABCG2 (0.76) ABCG2ABCB1ABCC1MEN1NPC1
SCHEMBL13531567 0.78 SLC2A1 (0.78) ABCG2MEN1NPC1KMT2ARAB9A

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 ABCG2 3307/4885ABCB1 1421/4885ABCC1 1363/4885
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 ABCG2 3290/4885ABCB1 1468/4885ABCC1 1326/4885

“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.