SCHEMBL5489470

SCHEMBL5489470

CC(C)(C)c1cc(O)nc(-c2cccnc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.45
SMN1; SMN2 Q16637 5/20 0.44
ALDH1A1 P00352 5/20 0.44
TP53 P04637 4/20 0.44
HSD17B10 Q99714 3/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
LMNA P02545 1/20 0.44
ALOX15 P16050 1/20 0.44
HTT P42858 1/20 0.44
CYP2A6 P11509 3/20 0.43
CYP3A4 P08684 6/20 0.42
CYP1A2 P05177 5/20 0.42
CYP2C9 P11712 5/20 0.42
CYP2C19 P33261 4/20 0.42
CYP19A1 P11511 2/20 0.42
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 1/20 0.42
NPSR1 Q6W5P4 2/20 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
SCHEMBL30060579 0.84 KDM4E (0.57) SMN1; SMN2ALDH1A1TP53HSD17B10MAPT
SCHEMBL4631807 0.84 KDM4E (0.57) SMN1; SMN2ALDH1A1TP53HSD17B10MAPT
SCHEMBL5480432 0.82 KIF11 (0.45) KIF11SMN1; SMN2ALDH1A1TP53HSD17B10
SCHEMBL19037593 0.77 CYP2A6 (0.54) KIF11SMN1; SMN2ALDH1A1TP53HSD17B10
SCHEMBL9302312 0.76 KIF11 (0.49) KIF11SMN1; SMN2ALDH1A1TP53HSD17B10
SCHEMBL19977476 0.74 ALDH1A1 (0.53) KIF11SMN1; SMN2ALDH1A1TP53HSD17B10
SCHEMBL6494415 0.73 NPC1 (0.42) SMN1; SMN2ALDH1A1HSD17B10MAPTKDM4E
SCHEMBL10168729 0.73 CYP19A1 (0.62) SMN1; SMN2ALDH1A1TP53KDM4ECYP2A6
SCHEMBL23183931 0.72 KIF11 (0.47) KIF11SMN1; SMN2ALDH1A1TP53HSD17B10
SCHEMBL5032444 0.72 SMN1; SMN2 (0.73) SMN1; SMN2ALDH1A1TP53HSD17B10MAPT

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 KIF11 4636/4885SMN1; SMN2 3150/4885ALDH1A1 176/4885
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 KIF11 4660/4885SMN1; SMN2 3214/4885ALDH1A1 172/4885

“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.