SCHEMBL5486953

SCHEMBL5486953

COc1cccc(Nc2cc(C)nc(-c3cccc(C)c3)n2)c1

nearest known ligand 0.81

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 16/20 0.81
ABCC1 P33527 8/20 0.81
ABCB1 P08183 7/20 0.81
MAPT P10636 2/20 0.56
TP53 P04637 1/20 0.56
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
NPC1 O15118 1/20 0.53
GBA1 P04062 1/20 0.53
RAB9A P51151 1/20 0.53
MAPK1 P28482 1/20 0.52
POLB P06746 1/20 0.51

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 0.89 ABCG2 (0.69) ABCG2ABCC1ABCB1MAPTMEN1
SCHEMBL5476447 0.85 ABCG2 (0.60) ABCG2ABCC1ABCB1MAPTTP53
SCHEMBL5486498 0.78 ABCG2 (0.70) ABCG2ABCC1ABCB1MAPTTP53
SCHEMBL20355235 0.78 RAB9A (0.72) ABCG2ABCC1ABCB1MAPTTP53
SCHEMBL5486371 0.76 ABCG2 (0.78) ABCG2ABCC1ABCB1MAPTMEN1
SCHEMBL5480409 0.76 ABCG2 (0.75) ABCG2ABCC1ABCB1MAPTTP53
SCHEMBL5477134 0.76 MEN1 (0.61) ABCG2ABCC1ABCB1MAPTMEN1
SCHEMBL5486296 0.74 ABCG2 (0.72) ABCG2ABCC1ABCB1MAPTTP53
SCHEMBL5484679 0.74 ABCG2 (0.50) ABCG2ABCC1ABCB1MAPTMEN1
SCHEMBL4544763 0.74 KCNH3 (0.67) MAPTTP53MEN1KMT2ANPC1

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

“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.