SCHEMBL7025149

SCHEMBL7025149

CC(C)CNc1c([N+](=O)[O-])c2nnnn2c2ncccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.38
ALDH1A1 P00352 5/20 0.38
HPGD P15428 2/20 0.35
LMNA P02545 3/20 0.35
DPP4 P27487 1/20 0.35
KMT2A Q03164 5/20 0.34
MEN1 O00255 4/20 0.34
TDP1 Q9NUW8 3/20 0.34
KCNH2 Q12809 2/20 0.34
GAA P10253 1/20 0.34
PDE4A P27815 1/20 0.34
CYP2C19 P33261 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
NSD2 O96028 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 2/20 0.33

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
SCHEMBL13914465 0.86 MAPT (0.37) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL12701776 0.85 KDM4E (0.32) MAPTALDH1A1HPGDLMNAKMT2A
SCHEMBL6099648 0.85 ALDH1A1 (0.45) MAPTALDH1A1HPGDLMNADPP4
SCHEMBL14419217 0.84 LMNA (0.34) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL6302291 0.81 KDM4E (0.40) MAPTKCNH2GAAPDE4AMAPK1
SCHEMBL7022105 0.80 ALDH1A1 (0.35) MAPTALDH1A1HPGDLMNADPP4
SCHEMBL3355530 0.76 NPY1R (0.36) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL3354370 0.76 S100A4 (0.42) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL4302874 0.76 ALDH1A1 (0.39) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL1960443 0.75 CTSV (0.37) MAPTALDH1A1HPGDKMT2AMEN1

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-6638944-B2 Have urea containing substituent at 1-position; induce biosynthesis of cytokines such as interferon and tumor necrosis factor, exhibit antiviral and antitumor properties 3M INNOVATIVE PROPERTIES COMPANY 2003-10-28 US disclosed
US-20030096998-A1 Imidazonaphtyridines 3M INNOVATIVE PROPERTIES COMPANY 2003-05-22 US disclosed
US-20030083500-A1 Imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY 2003-05-01 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-20030083500-A1 Imidazonaphthyridines IFNG, IRF3, IFNAR1 MAPT 4389/4885ALDH1A1 2677/4885HPGD 329/4885
US-20030096998-A1 Imidazonaphtyridines IFNG, IRF3, IFNAR1 MAPT 4347/4885ALDH1A1 2676/4885HPGD 356/4885

“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.