SCHEMBL5477134

SCHEMBL5477134

Cc1cccc(-c2nc(C)cc(Nc3ccc(N(C)C)cc3)n2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
NPC1 O15118 2/20 0.61
GBA1 P04062 2/20 0.61
RAB9A P51151 1/20 0.61
ABCG2 Q9UNQ0 16/20 0.58
ABCC1 P33527 8/20 0.50
ABCB1 P08183 8/20 0.50
MAP4K4 O95819 1/20 0.48
ABL1 P00519 1/20 0.48
LCK P06239 1/20 0.48
FYN P06241 1/20 0.48
IGF1R P08069 1/20 0.48
LTK P29376 1/20 0.48
KDR P35968 1/20 0.48
MAP2K2 P36507 1/20 0.48
MAPK8 P45983 1/20 0.48
MAPK9 P45984 1/20 0.48
CLK2 P49760 1/20 0.48
GSK3A P49840 1/20 0.48

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
SCHEMBL5482654 0.83 MEN1 (0.46) MEN1KMT2ANPC1GBA1RAB9A
SCHEMBL5483669 0.82 ABCG2 (0.69) MEN1KMT2ANPC1GBA1RAB9A
SCHEMBL5486953 0.76 ABCG2 (0.81) MEN1KMT2ANPC1GBA1RAB9A
SCHEMBL21977560 0.74 ABCG2 (1.00) MEN1KMT2ANPC1GBA1RAB9A
SCHEMBL9920522 0.73 RAB9A (0.66) NPC1RAB9AKDM4E
SCHEMBL14367593 0.72 KDM4E (0.44) MEN1KMT2ANPC1KDM4EALDH1A1
SCHEMBL21980348 0.72 ABCG2 (0.85) MEN1KMT2ANPC1GBA1RAB9A
SCHEMBL13963137 0.72 CYP1A2 (0.64) MEN1KMT2ANPC1GBA1RAB9A
SCHEMBL13963131 0.71 CYP1A2 (0.58) NPC1RAB9AABCG2ABCC1ABCB1
SCHEMBL21979438 0.70 ABCG2 (0.82) MEN1KMT2ANPC1GBA1RAB9A

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 3054/4885NPC1 2878/4885
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 3108/4885NPC1 3014/4885

“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.