SCHEMBL5408252

SCHEMBL5408252

O=[N+]([O-])c1cnc(Nc2ccc(Cl)cc2)nc1NCCc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
STK17A Q9UEE5 2/20 0.70
GSK3B P49841 4/20 0.60
PRKCQ Q04759 8/20 0.56
SIRT5 Q9NXA8 2/20 0.55
GSK3A P49840 3/20 0.54
AURKA O14965 2/20 0.54
MAPT P10636 2/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 1/20 0.52
PIN1 Q13526 1/20 0.50
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48
MCL1 Q07820 1/20 0.48
PTK2B Q14289 1/20 0.48

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
SCHEMBL1916284 0.91 STK17A (0.69) STK17AGSK3BPRKCQSIRT5GSK3A
SCHEMBL1917740 0.91 STK17A (0.69) STK17AGSK3BPRKCQGSK3AAURKA
SCHEMBL1917142 0.90 STK17A (0.68) STK17AGSK3BPRKCQSIRT5GSK3A
SCHEMBL5416389 0.89 STK17A (0.67) STK17AGSK3BPRKCQSIRT5GSK3A
SCHEMBL3286991 0.89 STK17A (0.77) STK17AGSK3BPRKCQGSK3AAURKA
SCHEMBL1917178 0.88 STK17A (0.63) STK17AGSK3BPRKCQSIRT5GSK3A
SCHEMBL1916733 0.87 STK17A (0.67) STK17AGSK3BPRKCQNPC1
SCHEMBL3285890 0.86 STK17A (0.74) STK17AGSK3BPRKCQGSK3AAURKA
SCHEMBL1918110 0.86 STK17A (0.66) STK17AGSK3BPRKCQSIRT5GSK3A
SCHEMBL1916740 0.86 STK17A (0.66) STK17AGSK3BPRKCQGSK3AAURKA

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 1515/4885PRKCQ 3253/4885
US-20050090486-A1 Trisubstituted pyrimidines APP, BACE1, PSEN1 STK17A 3456/4885GSK3B 790/4885PRKCQ 3437/4885

“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.