SCHEMBL5478708

SCHEMBL5478708

COCc1cc(Cl)nc(-c2csc(C)n2)n1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
NPC1 O15118 4/20 0.38
RAB9A P51151 3/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 3/20 0.36
GAA P10253 3/20 0.36
RECQL P46063 3/20 0.36
GFER P55789 1/20 0.36
GRM5 P41594 1/20 0.35
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
ESR2 Q92731 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
TSHR P16473 1/20 0.33

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
SCHEMBL12844252 0.85 KDM4E (0.56) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL12844123 0.84 KDM4E (0.54) KDM4ENPC1RAB9AALDH1A1LMNA
SCHEMBL21143970 0.81 RAB9A (0.45) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL12141888 0.81 KDM4E (0.51) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL12775310 0.81 KDM4E (0.51) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL5482994 0.74 KDM4E (0.40) KDM4ENPC1RAB9AMAPTGAA
SCHEMBL2541010 0.72 LMNA (0.48) KDM4ENPC1ALDH1A1LMNATDP1
SCHEMBL5482645 0.71 ABCG2 (0.49) KDM4ENPC1RAB9AALDH1A1LMNA
SCHEMBL5484693 0.71 KDM4E (0.42) KDM4ENPC1RAB9AMAPTGAA
SCHEMBL791669 0.70

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 KDM4E 2143/4885NPC1 2878/4885RAB9A 3348/4885
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 KDM4E 2198/4885NPC1 3014/4885RAB9A 3420/4885

“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.