SCHEMBL5486495

SCHEMBL5486495

Cc1ccc(O)cc1Nc1cc(C(F)(F)F)nc(-c2ccccn2)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.63
KDM4E B2RXH2 1/20 0.62
CYP1A2 P05177 5/20 0.58
ALDH1A1 P00352 3/20 0.53
GAA P10253 1/20 0.50
MDM2 Q00987 1/20 0.50
RET P07949 1/20 0.47
RIPK1 Q13546 1/20 0.47
RIPK3 Q9Y572 1/20 0.47
CYP2C9 P11712 3/20 0.46
BLM P54132 2/20 0.46
CYP2D6 P10635 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
CYP2C19 P33261 1/20 0.45
MEN1 O00255 1/20 0.43
RIPK2 O43353 1/20 0.43
KDR P35968 1/20 0.43
MAPK14 Q16539 1/20 0.43
LCK P06239 1/20 0.42
FYN P06241 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
SCHEMBL5477142 0.87 KMT2A (0.63) KMT2AKDM4ECYP1A2ALDH1A1GAA
SCHEMBL14493031 0.87 KMT2A (0.63) KMT2AKDM4ECYP1A2ALDH1A1GAA
SCHEMBL5486250 0.86 KMT2A (0.45) KMT2AKDM4ECYP1A2ALDH1A1RET
Hydrochloric Acid SCHEMBL5479416 0.86 KMT2A (0.61) KMT2AKDM4ECYP1A2ALDH1A1GAA
SCHEMBL5477236 0.85 KMT2A (0.60) KMT2AKDM4ECYP1A2ALDH1A1GAA
SCHEMBL5483259 0.83 KMT2A (0.55) KMT2AKDM4ECYP1A2ALDH1A1GAA
SCHEMBL5482818 0.82 PTGS2 (0.43) KMT2AKDM4EMEN1RIPK2KDR
SCHEMBL14493043 0.82 KMT2A (0.61) KMT2AKDM4ECYP1A2ALDH1A1GAA
SCHEMBL14492959 0.81 KMT2A (0.78) KMT2AKDM4ECYP1A2ALDH1A1GAA
Hydrochloric Acid SCHEMBL5479952 0.81 KMT2A (0.60) KMT2AKDM4ECYP1A2ALDH1A1GAA

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 16 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
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
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 2143/4885CYP1A2 300/4885
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 2198/4885CYP1A2 294/4885

“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.