SCHEMBL3402052

SCHEMBL3402052

COC(CNc1nc(Cl)nc(N2CCOCC2)c1N)OC

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.53
CTSS P25774 3/20 0.53
CTSL P07711 2/20 0.53
KCNH2 Q12809 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.41
CTSB P07858 1/20 0.38
NUDT1 P36639 1/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 1/20 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
SCHEMBL3405879 0.82 CTSK (0.53) CTSKCTSSCTSLKCNH2SMN1; SMN2
SCHEMBL3402065 0.81 ALDH1A1 (0.42) SMN1; SMN2MAPT
SCHEMBL3400747 0.79 CTSK (0.43) CTSKCTSSCTSLKCNH2SMN1; SMN2
SCHEMBL3401805 0.77 CTSK (0.67) CTSKCTSSCTSLKCNH2SMN1; SMN2
SCHEMBL3425396 0.77 ALDH1A1 (0.45) CTSKCTSSCTSLKCNH2SMN1; SMN2
SCHEMBL3406926 0.77 CTSK (0.53) CTSKCTSSCTSLKCNH2SMN1; SMN2
SCHEMBL3400756 0.74 SMN1; SMN2 (0.43) CTSKCTSSCTSLKCNH2SMN1; SMN2
SCHEMBL2641385 0.74 CTSK (0.60) CTSKCTSSCTSLKCNH2SMN1; SMN2
SCHEMBL3427397 0.73 CTSK (0.42) CTSKCTSSCTSLKCNH2SMN1; SMN2
SCHEMBL4969772 0.70 JAK2 (0.48) CTSKCTSSCTSLSMN1; SMN2

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.