SCHEMBL5408359

SCHEMBL5408359

CNc1nc(Nc2ccc(NC(C)=O)cc2)ncc1[N+](=O)[O-]

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.86
MEN1 O00255 2/20 0.86
KMT2A Q03164 2/20 0.86
CYP1A2 P05177 1/20 0.86
CYP3A4 P08684 1/20 0.86
CYP2C9 P11712 1/20 0.86
CYP2C19 P33261 1/20 0.86
MCL1 Q07820 1/20 0.86
PTK2B Q14289 1/20 0.86
PLK1 P53350 1/20 0.68
GSK3B P49841 5/20 0.58
GSK3A P49840 4/20 0.58
AURKA O14965 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.57
HTT P42858 2/20 0.53
MAPK1 P28482 1/20 0.53
PTK2 Q05397 3/20 0.50
STK17A Q9UEE5 1/20 0.48
SYK P43405 1/20 0.47
LMNA P02545 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
SCHEMBL5422211 0.88 MEN1 (0.67) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL5419368 0.85 GSK3B (0.63) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL5408207 0.84 GSK3B (0.61) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL5408180 0.84 STK17A (0.66) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL5402419 0.84 MAPT (0.62) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL5405521 0.84 GSK3B (0.61) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL5402268 0.83 GSK3B (0.82) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL5409960 0.82 MEN1 (0.60) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL13866466 0.82 PLK1 (0.81) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL4025594 0.82 PLK1 (0.84) MAPTMEN1KMT2ACYP1A2CYP3A4

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 MAPT 13/4885MEN1 3119/4885KMT2A 4026/4885
US-20050090486-A1 Trisubstituted pyrimidines APP, BACE1, PSEN1 MAPT 12/4885MEN1 2729/4885KMT2A 4480/4885

“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.