SCHEMBL3400747

SCHEMBL3400747

CCOC(CCCNc1nc(Cl)nc(N2CCOCC2)c1N)OCC

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.43
CTSS P25774 2/20 0.43
CTSL P07711 1/20 0.43
KCNH2 Q12809 1/20 0.41
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
TLR8 Q9NR97 3/20 0.34
TLR7 Q9NYK1 2/20 0.34
NUDT1 P36639 1/20 0.34
ALDH1A1 P00352 1/20 0.33
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
SCHEMBL3405186 0.83 KMT2A (0.41) TSHRKDM4ESMN1; SMN2ALDH1A1MAPK1
SCHEMBL3405879 0.80 CTSK (0.53) CTSKCTSSCTSLKCNH2KDM4E
SCHEMBL3402052 0.79 CTSK (0.53) CTSKCTSSCTSLKCNH2TSHR
SCHEMBL3427397 0.78 CTSK (0.42) CTSKCTSSCTSLKCNH2TSHR
SCHEMBL3400756 0.75 SMN1; SMN2 (0.43) CTSKCTSSCTSLKCNH2TSHR
SCHEMBL3425396 0.75 ALDH1A1 (0.45) CTSKCTSSCTSLKCNH2TSHR
SCHEMBL3401805 0.73 CTSK (0.67) CTSKCTSSCTSLKCNH2KDM4E
SCHEMBL3406926 0.72 CTSK (0.53) CTSKCTSSCTSLKCNH2KDM4E
SCHEMBL3428283 0.72 ALDH1A1 (0.40) KDM4ESMN1; SMN2ALDH1A1
SCHEMBL2641385 0.69 CTSK (0.60) CTSKCTSSCTSLKCNH2KDM4E

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 CTSK 2218/4885CTSS 4111/4885CTSL 4483/4885

“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.