SCHEMBL5487499

SCHEMBL5487499

Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1cc(C(F)(F)F)nc(-c2ccncc2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 16/20 0.60
KIT P10721 15/20 0.60
ABL2 P42684 12/20 0.60
BCR P11274 4/20 0.60
CSF1R P07333 4/20 0.60
BRAF P15056 3/20 0.60
PDGFRA P16234 3/20 0.60
EGFR P00533 3/20 0.60
LCK P06239 3/20 0.60
ERBB2 P04626 2/20 0.60
FYN P06241 2/20 0.60
LYN P07948 2/20 0.60
PDGFRB P09619 2/20 0.60
FGR P09769 2/20 0.60
SRC P12931 2/20 0.60
NQO2 P16083 2/20 0.60
EPHA8 P29322 2/20 0.60
FRK P42685 2/20 0.60
BLK P51451 2/20 0.60
DDR1 Q08345 2/20 0.60

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
SCHEMBL5476962 0.87 PDGFRA (0.54) ABL1KITABL2BCRCSF1R
SCHEMBL5487511 0.84 BRAF (0.52) ABL1BCRCSF1RBRAFPDGFRA
SCHEMBL5484433 0.84 BRAF (0.54) ABL1BCRCSF1RBRAFPDGFRA
SCHEMBL5476443 0.82 MAPK14 (0.53) CSF1RBRAFMAPK14RAF1
SCHEMBL5478734 0.81 BRAF (0.51) ABL1CSF1RBRAFKDRMAPK14
SCHEMBL715899 0.80 KIT (0.85) ABL1KITABL2BCRCSF1R
SCHEMBL4841459 0.80 ABL1 (0.84) ABL1KITABL2BCRCSF1R
SCHEMBL5481086 0.80 KIT (0.48) ABL1KITBCRCSF1RBRAF
SCHEMBL5476431 0.79 BRAF (0.62) ABL1BCRCSF1RBRAFPDGFRA
SCHEMBL4282281 0.78 ABL1 (0.78) ABL1KITABL2BCRCSF1R

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
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
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 ABL1 1094/4885KIT 884/4885ABL2 2429/4885
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 ABL1 1144/4885KIT 900/4885ABL2 2424/4885

“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.