SCHEMBL7046809

SCHEMBL7046809

CCCCN(C)c1nc(C)c([N+](=O)[O-])c(-c2c[nH]c(C)n2)n1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
KDR P35968 1/20 0.31
MEN1 O00255 2/20 0.31
LMNA P02545 2/20 0.31
KMT2A Q03164 2/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL7045359 0.83 PPIA (0.40) MAPTMEN1LMNAKMT2A
SCHEMBL7044720 0.82 CRHR1 (0.42) MAPTMEN1LMNAKMT2AHTT
SCHEMBL7043666 0.81 MAPT (0.47) MAPTLMNAHTT
SCHEMBL7044716 0.75 MAPT (0.42) MAPTMEN1KMT2A
SCHEMBL7045767 0.75 MAPT (0.37) MAPTMEN1LMNAKMT2AHTT
SCHEMBL6694814 0.70 CYP1A2 (0.38) MAPTKDRMEN1LMNAKMT2A
SCHEMBL7043420 0.70 NPC1 (0.43) MAPTMEN1KMT2A
SCHEMBL7101569 0.66 KMT2A (0.43) MAPTMEN1LMNAKMT2AHTT
SCHEMBL7046695 0.65 ALDH1A1 (0.34) MAPTMEN1LMNAKMT2AHTT
SCHEMBL7047413 0.65 PTGS2 (0.37) MAPTMEN1KMT2AHTT

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
WO-2002064096-A9 METHODS OF USING PYRIMIDINE-BASED ANTIVIRAL AGENTS TULARIK INC (US) 2003-10-16 WO disclosed
US-20030130264-A1 Methods of using pyrimidine-based antiviral agents TULARIK INC. (US) 2003-07-10 US disclosed
WO-2002064096-A2 METHODS OF USING PYRIMIDINE-BASED ANTIVIRAL AGENTS TULARIK INC. (US) 2002-08-22 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 (1 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-20030130264-A1 Methods of using pyrimidine-based antiviral agents TYMP, TYMS, NUDT1 MAPT 2656/4885KDR 2822/4885MEN1 4096/4885

“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.