SCHEMBL3399374

SCHEMBL3399374

CC1COCCN1c1nc(Cl)nc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTOR P42345 12/20 0.44
MAPK1 P28482 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MAPT P10636 1/20 0.37
ATR Q13535 1/20 0.36
PIK3C3 Q8NEB9 4/20 0.36
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL3399370 1.00 MTOR (0.44) MTORMAPK1NPSR1MAPTATR
SCHEMBL3404771 0.83 MTOR (0.40) MTORMAPK1NPSR1
SCHEMBL3404768 0.83 MTOR (0.40) MTORMAPK1NPSR1
SCHEMBL30623361 0.81 CUL4A (0.51) MTORMAPK1NPSR1ATRPIK3C3
SCHEMBL28648545 0.81 CUL4A (0.51) MTORMAPK1NPSR1ATRPIK3C3
SCHEMBL28655466 0.81 CUL4A (0.51) MTORMAPK1NPSR1ATRPIK3C3
SCHEMBL30623433 0.81 CUL4A (0.51) MTORMAPK1NPSR1ATRPIK3C3
SCHEMBL28648550 0.81 CUL4A (0.51) MTORMAPK1NPSR1ATRPIK3C3
SCHEMBL7048583 0.79 NPSR1 (0.48) MTORMAPK1NPSR1MAPTATR
SCHEMBL31672775 0.79 MTOR (0.44) MTORMAPK1NPSR1ATRPIK3C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023020604-A1 FIVE-MEMBERED NITROGEN-CONTAINING HETEROCYCLIC AND HETEROARYL DERIVATIVE AND USE THEREOF 南京大美生物制药有限公司 2023-02-23 WO disclosed
EP-2252296-A1 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES Wyeth LLC (US) 2010-11-24 EP disclosed
WO-2009091788-A1 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-07-23 WO disclosed
US-20090181963-A1 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-07-16 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 (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-20090181963-A1 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, PIK3CA, PIK3CD MTOR 1/4885MAPK1 80/4885NPSR1 3950/4885

“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.