SCHEMBL5408153

SCHEMBL5408153

O=[N+]([O-])c1cnc(Nc2ccc(Cl)cc2)nc1NC1CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK17A Q9UEE5 1/20 0.61
GSK3B P49841 6/20 0.58
GSK3A P49840 5/20 0.58
SYK P43405 6/20 0.56
MEN1 O00255 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
MAPT P10636 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
KMT2A Q03164 1/20 0.53
MCL1 Q07820 1/20 0.53
PTK2B Q14289 1/20 0.53
AURKA O14965 2/20 0.51
PRKCQ Q04759 3/20 0.51
ULK1 O75385 1/20 0.46
ULK2 Q8IYT8 1/20 0.46
PIN1 Q13526 1/20 0.46
FLT3 P36888 1/20 0.45
TYRO3 Q06418 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
SCHEMBL1916451 0.94 GSK3B (0.67) STK17AGSK3BGSK3ASYKMEN1
SCHEMBL1918619 0.94 GSK3B (0.67) STK17AGSK3BGSK3ASYKMEN1
SCHEMBL1916449 0.94 GSK3B (0.67) STK17AGSK3BGSK3ASYKMEN1
SCHEMBL1918620 0.94 STK17A (0.59) STK17AGSK3BGSK3ASYKMEN1
SCHEMBL1916209 0.92 STK17A (0.53) STK17AGSK3BGSK3ASYKMEN1
SCHEMBL3282380 0.92 GSK3B (0.56) STK17AGSK3BGSK3ASYKMEN1
SCHEMBL1916273 0.92 GSK3B (0.56) STK17AGSK3BGSK3ASYKMEN1
SCHEMBL1916270 0.92 GSK3B (0.56) STK17AGSK3BGSK3ASYKMEN1
SCHEMBL29985133 0.91 GSK3B (0.71) STK17AGSK3BGSK3ASYKMEN1
SCHEMBL3283613 0.90 STK17A (0.54) STK17AGSK3BGSK3ASYKMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166599-B2 Trisubstituted pyrimidines BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-01-23 US disclosed
US-20050090486-A1 Trisubstituted pyrimidines BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-04-28 US disclosed
US-20030134838-A1 Trisubstituted pyrimidines BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-07-17 US 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-20030134838-A1 Trisubstituted pyrimidines APP, PSEN1, BACE1 STK17A 3301/4885GSK3B 1515/4885GSK3A 1624/4885
US-20050090486-A1 Trisubstituted pyrimidines APP, BACE1, PSEN1 STK17A 3456/4885GSK3B 790/4885GSK3A 1236/4885

“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.