SCHEMBL5486250

SCHEMBL5486250

Cc1ccc(O)cc1Nc1cc(C(F)(F)F)nc(-c2cnccn2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 1/20 0.44
RIPK2 O43353 3/20 0.42
KDR P35968 3/20 0.42
MAPK14 Q16539 2/20 0.42
LCK P06239 5/20 0.42
LYN P07948 2/20 0.42
TXK P42681 2/20 0.42
SYK P43405 2/20 0.42
FYN P06241 1/20 0.42
YES1 P07947 1/20 0.42
FGR P09769 1/20 0.42
EPHA1 P21709 1/20 0.42
EPHA2 P29317 1/20 0.42
EPHA3 P29320 1/20 0.42
EPHB2 P29323 1/20 0.42
CSK P41240 1/20 0.42
BLK P51451 1/20 0.42
BMX P51813 1/20 0.42
EPHB3 P54753 1/20 0.42

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
SCHEMBL5482689 0.89 KMT2A (0.46) KMT2AKDM4EKDRSYKCYP1A2
SCHEMBL5483604 0.87 KMT2A (0.45) KMT2AKDM4ECYP1A2ALDH1A1PTGS2
SCHEMBL5489400 0.87 CYP1A2 (0.44) KMT2AKDM4ECYP1A2ALDH1A1PTGS2
SCHEMBL14493037 0.86 KMT2A (0.43) KMT2AKDM4EKDRCYP1A2BRAF
SCHEMBL5486495 0.86 KMT2A (0.63) KMT2AKDM4ERIPK2KDRMAPK14
SCHEMBL5482901 0.85 KMT2A (0.43) KMT2AKDM4ELCKCYP1A2ALDH1A1
Hydrochloric Acid SCHEMBL5476288 0.85 KMT2A (0.42) KMT2AKDM4EKDRCYP1A2BRAF
SCHEMBL5478729 0.84 MAPK14 (0.49) RIPK2KDRMAPK14LCKLYN
SCHEMBL5480448 0.83 KMT2A (0.40) KMT2AKDM4ECYP1A2BRAFALDH1A1
SCHEMBL5482818 0.83 PTGS2 (0.43) KMT2AKDM4ERIPK2KDRMAPK14

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 14 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 claimed
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 claimed
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 claimed
US-6716851-B2 ANTICANCER AGENTS CYTOVIA, INC. 2004-04-06 US claimed
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 claimed
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 claimed
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 claimed
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 KMT2A 3054/4885KDM4E 2143/4885RIPK2 2476/4885
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 KMT2A 3108/4885KDM4E 2198/4885RIPK2 2435/4885

“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.