SCHEMBL5484057

SCHEMBL5484057

COc1ccc(Nc2cc(C(F)(F)F)nc(-c3cccnc3)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 5/20 0.54
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C19 P33261 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP2C9 P11712 1/20 0.49
CLK4 Q9HAZ1 2/20 0.48
DYRK1A Q13627 1/20 0.48
SYK P43405 2/20 0.47
KMT2A Q03164 1/20 0.47
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
ABCB1 P08183 3/20 0.45
CYP17A1 P05093 2/20 0.45
CYP11B2 P19099 2/20 0.45
CYP19A1 P11511 1/20 0.45
CYP11B1 P15538 1/20 0.45

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
SCHEMBL14493019 0.91 ABCG2 (0.47) ABCG2CYP1A2CYP3A4CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL5482581 0.90 ABCG2 (0.47) ABCG2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL5484062 0.89 ABCG2 (0.59) ABCG2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL5479205 0.87 KDR (0.46) ABCG2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL5477244 0.86 MAPT (0.56) ABCG2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL5483100 0.86 ABCG2 (0.71) ABCG2KDM4EALDH1A1KMT2ARAB9A
SCHEMBL5486987 0.86 KMT2A (0.58) ABCG2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL29715745 0.86 KMT2A (0.63) ABCG2CYP1A2CYP3A4CYP2C19KDM4E
SCHEMBL5486944 0.85 CYP11B2 (0.44) ABCG2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL5477008 0.85 ABL1 (0.47) ABCG2CYP1A2CYP3A4CYP2D6CYP2C19

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 14 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
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-20080260829-A1 Bone morphogenic proteins (bmp); cell adhesion modulating agent; peptidomimetics of cyclic peptides comprising classical cadherin cell adhesion recognition (CAR) sequences; modulate cell adhesion and improve drug delivery NEW YORK SOCIETY FOR THE RUPTURED AND CRIPPLED MAINTAINING THE HOSPITAL FOR SPECIAL SURGERY (US) 2008-10-23 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 (3 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-20080260829-A1 Bone morphogenic proteins (bmp); cell adhesion modulating agent; peptidomimetics of cyclic peptides comprising classical cadherin cell adhesion recognition (CAR) sequences; modulate cell adhesion and improve drug delivery BMP1, BMP2, BMP4 ABCG2 3909/4885CYP1A2 4748/4885CYP3A4 4611/4885
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 ABCG2 3307/4885CYP1A2 300/4885CYP3A4 408/4885
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 ABCG2 3290/4885CYP1A2 294/4885CYP3A4 403/4885

“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.