SCHEMBL5486938

SCHEMBL5486938

Cc1nc(-c2ccc(C(F)(F)F)cn2)nc(Cl)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 4/20 0.50
CASP3 P42574 2/20 0.44
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 3/20 0.39
KDM4E B2RXH2 3/20 0.39
KIF11 P52732 1/20 0.38
KMT2A Q03164 1/20 0.38
METAP2 P50579 1/20 0.37
KCNH2 Q12809 1/20 0.37
PDE2A O00408 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAPT P10636 2/20 0.35
APAF1 O14727 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GAA P10253 1/20 0.34
TGFBR1 P36897 1/20 0.34

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
SCHEMBL30365839 0.77 KDM4E (0.48) METAP1CASP3NPSR1KDM4EKIF11
SCHEMBL29286039 0.77 KDM4E (0.48) METAP1CASP3NPSR1KDM4EKIF11
SCHEMBL31044743 0.77 CASP3 (0.43) METAP1CASP3NPSR1KDM4EKIF11
SCHEMBL5482665 0.75 METAP1 (0.49) METAP1KMT2AMETAP2MAPTTGFBR1
SCHEMBL5480331 0.72 METAP1 (0.48) METAP1LMNAKDM4EKMT2ASMN1; SMN2
SCHEMBL13830687 0.71 NPSR1 (0.50) CASP3LMNANPSR1KDM4EKIF11
SCHEMBL30151229 0.71 CCR1 (0.47) CASP3METAP2
SCHEMBL811160 0.71 NPSR1 (0.53) CASP3NPSR1KDM4EKIF11KMT2A
SCHEMBL29595709 0.71 NPSR1 (0.53) CASP3NPSR1KDM4EKIF11KMT2A
SCHEMBL4479894 0.71 METAP1 (0.78) METAP1NPSR1KDM4EKMT2AMETAP2

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 METAP1 530/4885CASP3 4/4885LMNA 1814/4885
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 METAP1 450/4885CASP3 5/4885LMNA 1848/4885

“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.