SCHEMBL5482665

SCHEMBL5482665

COc1ccc(Nc2nc(-c3ccc(C(F)(F)F)cn3)nc(C)c2Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 4/20 0.49
PTK2 Q05397 1/20 0.42
APP P05067 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.41
AURKA O14965 2/20 0.40
SYK P43405 1/20 0.40
ACP1 P24666 1/20 0.40
MAPT P10636 1/20 0.39
TGFBR1 P36897 1/20 0.39
NR3C1 P04150 1/20 0.39
GSK3B P49841 1/20 0.39
METAP2 P50579 1/20 0.38
CHRNA7 P36544 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL5480331 0.88 METAP1 (0.48) METAP1PTK2APPABCG2SYK
SCHEMBL5482669 0.76 POLB (0.47) PTK2ABCG2MAPT
SCHEMBL5486938 0.75 METAP1 (0.50) METAP1MAPTTGFBR1METAP2KMT2A
SCHEMBL4479894 0.73 METAP1 (0.78) METAP1METAP2MEN1KMT2A
SCHEMBL30739004 0.69 RXFP1 (0.53) ACP1GSK3BMEN1KMT2A
SCHEMBL913930 0.69 RXFP1 (0.53) ACP1GSK3BMEN1KMT2A
SCHEMBL10994568 0.67 GAA (0.68) APPACP1MAPTGSK3BMEN1
SCHEMBL25511404 0.67 HIF1A (0.36) PTK2APPABCG2AURKASYK
SCHEMBL8043500 0.66 HIF1A (0.57) ABCG2ACP1GSK3B
SCHEMBL11900317 0.66 METAP1 (1.00) METAP1METAP2MEN1KMT2A

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 METAP1 530/4885PTK2 2616/4885APP 2428/4885
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 METAP1 450/4885PTK2 2666/4885APP 2454/4885

“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.