SCHEMBL5416155

SCHEMBL5416155

CS(=O)(=O)NCCCCNc1nc(Nc2ccc(Cl)cc2)ncc1[N+](=O)[O-]

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STK17A Q9UEE5 10/20 0.73
MAPT P10636 4/20 0.53
STK17B O94768 5/20 0.51
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
GSK3B P49841 1/20 0.48
PRKCQ Q04759 3/20 0.48
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PKM P14618 1/20 0.47
GLO1 Q04760 1/20 0.46

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
SCHEMBL5413028 0.98 STK17A (0.73) STK17AMAPTSTK17BMEN1CYP1A2
SCHEMBL1917009 0.94 STK17A (0.72) STK17AMAPTSTK17BMEN1CYP1A2
SCHEMBL5408700 0.86 STK17A (0.80) STK17AMAPTSTK17BMEN1CYP1A2
SCHEMBL1917301 0.85 STK17A (0.94) STK17ASTK17BGSK3BPRKCQ
SCHEMBL1917676 0.85 STK17A (0.78) STK17AMAPTSTK17BMEN1CYP1A2
SCHEMBL1916936 0.85 STK17A (0.74) STK17AMAPTSTK17BMEN1CYP1A2
SCHEMBL1916898 0.85 STK17A (0.92) STK17ASTK17BGSK3BPRKCQ
SCHEMBL3284476 0.85 STK17A (0.77) STK17AMAPTSTK17BMEN1CYP1A2
SCHEMBL1918919 0.85 STK17A (0.92) STK17ASTK17BGSK3BPRKCQ
SCHEMBL1917551 0.85 STK17A (0.77) STK17AMAPTSTK17BMEN1CYP1A2

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 3301/4885MAPT 13/4885STK17B 3455/4885
US-20050090486-A1 Trisubstituted pyrimidines APP, BACE1, PSEN1 STK17A 3456/4885MAPT 12/4885STK17B 3502/4885

“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.