SCHEMBL3427397

SCHEMBL3427397

Nc1c(NCCCN2CCCC2)nc(Cl)nc1N1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.42
CTSS P25774 2/20 0.42
KCNH2 Q12809 1/20 0.42
CTSL P07711 1/20 0.42
TLR8 Q9NR97 5/20 0.41
TLR7 Q9NYK1 5/20 0.41
MAPK1 P28482 2/20 0.40
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
PIM1 P11309 1/20 0.39
KDM4E B2RXH2 2/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL3404172 0.81 MAPT (0.48) MAPK1MAPTKDM4EALDH1A1LMNA
SCHEMBL3405879 0.79 CTSK (0.53) CTSKCTSSKCNH2CTSLKDM4E
SCHEMBL3400747 0.78 CTSK (0.43) CTSKCTSSKCNH2CTSLTLR8
SCHEMBL3400756 0.76 SMN1; SMN2 (0.43) CTSKCTSSKCNH2CTSLKDM4E
SCHEMBL3425396 0.76 ALDH1A1 (0.45) CTSKCTSSKCNH2CTSLKDM4E
SCHEMBL3406926 0.76 CTSK (0.53) CTSKCTSSKCNH2CTSLMAPK1
SCHEMBL3403172 0.74 TLR8 (0.47) CTSKCTSSKCNH2TLR8SMN1; SMN2
SCHEMBL12655046 0.74 HRH3 (0.54) MAPK1MAPTNPSR1KDM4ETP53
SCHEMBL3401805 0.74 CTSK (0.67) CTSKCTSSKCNH2CTSLMAPK1
SCHEMBL12654844 0.73 PGK1 (0.40) TLR8TLR7MAPK1MAPTNPSR1

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 4111/4885KCNH2 2757/4885

“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.