SCHEMBL5482669

SCHEMBL5482669

COc1ccc(Nc2nc(-c3ncccc3C(F)(F)F)nc(C)c2Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
TRPV1 Q8NER1 5/20 0.44
ABCG2 Q9UNQ0 2/20 0.43
PTK2 Q05397 1/20 0.42
MAPT P10636 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL5482665 0.76 METAP1 (0.49) ABCG2PTK2MAPT
SCHEMBL31451657 0.67 RAB9A (0.61) ABCG2MAPTNPC1ALDH1A1HTT
SCHEMBL5480331 0.67 METAP1 (0.48) ABCG2PTK2HTT
SCHEMBL25511399 0.66 ABCG2 (0.41) TRPV1ABCG2MAPTNPC1ALDH1A1
SCHEMBL2482785 0.65 RAB9A (0.61) ABCG2MAPTNPC1ALDH1A1HTT
SCHEMBL5566717 0.64 PTK2 (0.58) PTK2MAPTNPC1ALDH1A1RAB9A
SCHEMBL13685534 0.64 ALDH1A1 (0.52) MAPTALDH1A1
SCHEMBL8043500 0.63 HIF1A (0.57) TRPV1ABCG2NPC1HTTRAB9A
SCHEMBL22872906 0.63 MAPT (0.51) POLBABCG2MAPTNPC1ALDH1A1
SCHEMBL6449893 0.63 MAPT (0.43) POLBTRPV1MAPTNPC1ALDH1A1

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 POLB 2514/4885TRPV1 3671/4885ABCG2 3307/4885
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 POLB 2564/4885TRPV1 3667/4885ABCG2 3290/4885

“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.