SCHEMBL5487045

SCHEMBL5487045

Cc1cccc(-c2nc(C)cc(Cl)n2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.71
RAB9A P51151 6/20 0.56
KMT2A Q03164 3/20 0.50
NR1I3 Q14994 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 3/20 0.43
DHPS P49366 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CASP3 P42574 2/20 0.42
SENP7 Q9BQF6 2/20 0.42
SENP6 Q9GZR1 1/20 0.42
ABCB1 P08183 1/20 0.42
ABCC1 P33527 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
POLB P06746 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 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
SCHEMBL11787243 0.91 RAB9A (0.61) LMNARAB9AKMT2ANR1I3SMN1; SMN2
SCHEMBL9920522 0.87 RAB9A (0.66) LMNARAB9ANR1I3SMN1; SMN2MAPK1
SCHEMBL16682869 0.86 LMNA (0.71) LMNARAB9AKMT2ANR1I3NPC1
SCHEMBL9369412 0.85 LMNA (0.57) LMNARAB9AKMT2ASMN1; SMN2MAPK1
SCHEMBL1772953 0.83 LMNA (1.00) LMNARAB9AKMT2ASMN1; SMN2MAPK1
SCHEMBL3766697 0.80 RAB9A (0.73) RAB9AKMT2ANR1I3SMN1; SMN2MAPK1
SCHEMBL3425538 0.79 LMNA (0.72) LMNARAB9AKMT2ASMN1; SMN2MAPK1
SCHEMBL21207988 0.79 RAB9A (0.61) LMNARAB9AKMT2ANR1I3SMN1; SMN2
SCHEMBL2798866 0.79 RAB9A (0.61) LMNARAB9AKMT2ANR1I3SMN1; SMN2
SCHEMBL17051651 0.79 RAB9A (0.56) LMNARAB9AKMT2ANR1I3SMN1; SMN2

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 LMNA 1814/4885RAB9A 3348/4885KMT2A 3054/4885
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 LMNA 1848/4885RAB9A 3420/4885KMT2A 3108/4885

“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.