SCHEMBL5485895

SCHEMBL5485895

COc1ccc(Oc2ccccc2)cc1Nc1cc(C(F)(F)F)nc(-c2cccnc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
MAPT P10636 5/20 0.45
NPSR1 Q6W5P4 4/20 0.45
TSHR P16473 4/20 0.45
HSD17B10 Q99714 4/20 0.45
ALOX15 P16050 3/20 0.45
MAPK1 P28482 2/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
ABCB1 P08183 3/20 0.43
ABCG2 Q9UNQ0 3/20 0.43
ABCC1 P33527 1/20 0.43
RAF1 P04049 1/20 0.42
MEN1 O00255 4/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.41
NPC1 O15118 1/20 0.41
PIK3CD O00329 1/20 0.41
CYP1A2 P05177 5/20 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
SCHEMBL5482995 0.91 TSHR (0.48) KMT2AMAPTNPSR1TSHRHSD17B10
SCHEMBL5477041 0.85 ABCB1 (0.44) KMT2AMAPTTSHRHSD17B10ALOX15
SCHEMBL5480484 0.85 ABL1 (0.49) KMT2AMAPTTSHRHSD17B10ALOX15
SCHEMBL5484721 0.84 ABL1 (0.45) KMT2AMAPTTSHRHSD17B10ALOX15
SCHEMBL5477059 0.84 KMT2A (0.56) KMT2AMAPTNPSR1MAPK1HPGD
SCHEMBL18764358 0.84 ABL1 (0.50) MAPTABCB1CYP1A2CYP3A4LMNA
SCHEMBL5484541 0.84 MAPT (0.58) KMT2AMAPTNPSR1TSHRHSD17B10
Hydrochloric Acid SCHEMBL5485643 0.83 ABL1 (0.49) MAPTABCB1CYP1A2CYP3A4LMNA
SCHEMBL5476006 0.82 ABCG2 (0.50) KMT2AMAPTNPSR1TSHRHSD17B10
SCHEMBL5477008 0.81 ABL1 (0.47) MAPTTSHRHSD17B10ALOX15ABCB1

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 16 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 claimed
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 claimed
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 claimed
US-6716851-B2 ANTICANCER AGENTS CYTOVIA, INC. 2004-04-06 US claimed
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 claimed
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 claimed
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 claimed
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 KMT2A 3054/4885MAPT 4540/4885NPSR1 3865/4885
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 KMT2A 3108/4885MAPT 4569/4885NPSR1 3890/4885

“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.