SCHEMBL4874074

SCHEMBL4874074

CN(C)c1ncncc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
MAPT P10636 1/20 0.36
GAA P10253 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 1/20 0.33
ERN1 O75460 1/20 0.33
CCR6 P51684 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
HCAR3 P49019 1/20 0.33
CHEK1 O14757 1/20 0.33
AURKA O14965 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL11746342 0.75 MEN1 (0.38) ALDH1A1MAPTMEN1KMT2ACYP1A2
SCHEMBL16742973 0.75 MEN1 (0.38) ALDH1A1MAPTMEN1KMT2ACYP1A2
SCHEMBL4070781 0.75 TDP1 (0.39) ALDH1A1MAPTMEN1KMT2ACYP1A2
SCHEMBL10346382 0.73 ALDH1A1 (0.62) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL27967118 0.73 ALDH1A1 (0.40) ALDH1A1MAPTGAACYP1A2CYP3A4
SCHEMBL8297040 0.71 PIN1 (0.47) ALDH1A1MAPTGAA
SCHEMBL857374 0.71 ALDH1A1 (0.45) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL7455538 0.71 MAPT (0.40) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL7455535 0.71 MAPT (0.40) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL1699168 0.71 ERN1 (0.41) ALDH1A1MAPTGAAMEN1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116535394-A Carbon nitrogen bond diazole energetic compound with polynitro modification or usable salt thereof and preparation method thereof 北京理工大学 2023-08-04 CN disclosed
US-7423038-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (A DELAWARE LIMITED LIABILITY CORPORATION) (BM) 2008-09-09 US disclosed
US-20080113986-A1 such as serine/threonine, fusion, and tyrosine kinase receptors as nerve and fibroblast growth factor; abnormal activation of immune and nervous systems; antiproliferative; N-[4-methyl-3-(8-methyl-2-methylamino-7-oxo-7,8-dihydropteridin-6-yl)-phenyl]-3-morpholin-4-yl-5-trifluoromethyl-benzamide IRM LLC (BM) 2008-05-15 US disclosed
CN-101031568-A Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2007-09-05 CN disclosed
EP-1765820-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-03-28 EP disclosed
WO-2006002367-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-01-05 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-20080113986-A1 such as serine/threonine, fusion, and tyrosine kinase receptors as nerve and fibroblast growth factor; abnormal activation of immune and nervous systems; antiproliferative; N-[4-methyl-3-(8-methyl-2-methylamino-7-oxo-7,8-dihydropteridin-6-yl)-phenyl]-3-morpholin-4-yl-5-trifluoromethyl-benzamide LCK, FRK, FYN ALDH1A1 4492/4885MAPT 1890/4885GAA 3211/4885

“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.