SCHEMBL5482568

SCHEMBL5482568

COc1ccccc1Nc1cc(C)nc(-c2ccccn2)n1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.58
TGFBR1 P36897 1/20 0.53
MAPK10 P53779 1/20 0.51
EGFR P00533 1/20 0.50
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
ADORA3 P0DMS8 1/20 0.47
AURKA O14965 1/20 0.46
ABCB1 P08183 2/20 0.45
ABCG2 Q9UNQ0 2/20 0.45
ABCC1 P33527 1/20 0.45

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
SCHEMBL5480701 0.91 FFAR1 (0.54) FFAR1TGFBR1NPC1ALDH1A1GAA
SCHEMBL5485981 0.88 FFAR1 (0.54) FFAR1TGFBR1EGFRNPC1ALDH1A1
Hydrochloric Acid SCHEMBL5481592 0.87 FFAR1 (0.53) FFAR1TGFBR1NPC1ALDH1A1MAPT
SCHEMBL5479991 0.83 ABCG2 (0.62) FFAR1TGFBR1ALDH1A1GAAMAPT
SCHEMBL5481789 0.82 FFAR1 (0.55) FFAR1ABCB1ABCG2ABCC1
Hydrochloric Acid SCHEMBL5479863 0.81 ABCG2 (0.55) FFAR1TGFBR1ALDH1A1GAAMAPT
SCHEMBL5486498 0.81 ABCG2 (0.70) FFAR1TGFBR1EGFRNPC1ALDH1A1
SCHEMBL5025052 0.81 TP53 (0.47) FFAR1TGFBR1NPC1ALDH1A1GAA
SCHEMBL5480625 0.80 ABCG2 (0.59) FFAR1MAPTABCB1ABCG2ABCC1
SCHEMBL5479444 0.80 FFAR1 (0.53) FFAR1ABCB1ABCG2ABCC1

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 FFAR1 962/4885TGFBR1 2591/4885MAPK10 2851/4885
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 FFAR1 979/4885TGFBR1 2651/4885MAPK10 2929/4885

“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.