SCHEMBL3404172

SCHEMBL3404172

O=[N+]([O-])c1c(NCCCN2CCCC2)nc(Cl)nc1N1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GSK3A P49840 3/20 0.45
GSK3B P49841 3/20 0.45
HTT P42858 3/20 0.45
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 4/20 0.44
POLB P06746 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PKM P14618 1/20 0.41

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
SCHEMBL3427397 0.81 CTSK (0.42) MAPTLMNAKDM4EMAPK1ALDH1A1
SCHEMBL3399391 0.81 ALDH1A1 (0.47) MAPTLMNAKDM4EHTTMAPK1
SCHEMBL3405186 0.80 KMT2A (0.41) MAPTLMNAKDM4EHTTMAPK1
SCHEMBL3403998 0.79 ALDH1A1 (0.44) MAPTLMNAKDM4EHTTMAPK1
SCHEMBL3401385 0.78 ALDH1A1 (0.42) MAPTLMNAHTTMAPK1ALDH1A1
SCHEMBL3425360 0.78 ALDH1A1 (0.42) MAPTLMNAKDM4EHTTMAPK1
SCHEMBL3407918 0.77 ACKR3 (0.41) MAPTLMNAALDH1A1L3MBTL1
SCHEMBL3402400 0.77 ALDH1A1 (0.50) MAPTLMNAHTTMAPK1ALDH1A1
SCHEMBL3402065 0.76 ALDH1A1 (0.42) MAPTLMNAKDM4EHTTMAPK1
SCHEMBL6949324 0.74 KDM4E (0.52) MAPTLMNAKDM4EGSK3AGSK3B

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
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 MAPT 2266/4885LMNA 4511/4885KDM4E 1194/4885

“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.