SCHEMBL5483717

SCHEMBL5483717

FC(F)(F)c1cc(Cl)nc(-c2ccccn2)n1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.63
KDM4E B2RXH2 2/20 0.63
MDM2 Q00987 1/20 0.63
CYP1A2 P05177 5/20 0.62
CYP2C9 P11712 3/20 0.62
BLM P54132 2/20 0.62
KMT2A Q03164 3/20 0.60
CYP2D6 P10635 1/20 0.60
ALDH1A1 P00352 4/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MEN1 O00255 2/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
ATM Q13315 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
TDP1 Q9NUW8 1/20 0.52
HIF1A Q16665 1/20 0.49
CYP2C19 P33261 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
SCHEMBL30081036 0.85 CYP1A2 (0.49) GAAKDM4EMDM2CYP1A2CYP2C9
SCHEMBL1442585 0.83 TDP1 (0.68) KDM4ECYP1A2BLMSMN1; SMN2LMNA
SCHEMBL30423972 0.83 TDP1 (0.68) KDM4ECYP1A2BLMSMN1; SMN2LMNA
SCHEMBL5475997 0.82 HIF1A (0.42) GAAKDM4EMDM2CYP1A2CYP2C9
SCHEMBL5479409 0.81 CYP1A2 (0.64) GAAKDM4EMDM2CYP1A2CYP2C9
SCHEMBL29545764 0.80 CCR1 (0.63) KDM4ECYP1A2BLMALDH1A1SMN1; SMN2
SCHEMBL4490247 0.80 CCR1 (0.63) KDM4ECYP1A2BLMALDH1A1SMN1; SMN2
SCHEMBL5476158 0.78 LMNA (0.58) KDM4EKMT2ASMN1; SMN2MEN1LMNA
SCHEMBL5479183 0.78 HIF1A (0.46) GAAKDM4EMDM2CYP1A2CYP2C9
SCHEMBL5483247 0.77 KMT2A (0.77) GAAKDM4EMDM2CYP1A2CYP2C9

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 9 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
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 GAA 2583/4885KDM4E 2143/4885MDM2 162/4885
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 GAA 2634/4885KDM4E 2198/4885MDM2 167/4885

“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.