SCHEMBL3403172

SCHEMBL3403172

CC(C)(C)OC(=O)N1CCN(CCNc2nc(Cl)nc(N3CCOCC3)c2N)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.47
ACKR3 P25106 3/20 0.43
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
KCNH2 Q12809 1/20 0.41
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PIK3CA P42336 5/20 0.40
MTOR P42345 2/20 0.40
PIK3CG P48736 1/20 0.40
ATR Q13535 1/20 0.40
AURKB Q96GD4 1/20 0.40
KMT5A Q9NQR1 1/20 0.40
PIK3CD O00329 4/20 0.39
PIK3R1 P27986 2/20 0.38
THRB P10828 1/20 0.37

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
SCHEMBL3407918 0.86 ACKR3 (0.41) TLR8ACKR3KCNH2USP2SMN1; SMN2
SCHEMBL3401953 0.84 PIK3CA (0.49) CTSKUSP2SMN1; SMN2PIK3CAMTOR
SCHEMBL3403790 0.83 PIK3CA (0.43) CTSSCTSKKCNH2USP2SMN1; SMN2
SCHEMBL3403836 0.83 PIK3CA (0.41) CTSSCTSKKCNH2USP2SMN1; SMN2
SCHEMBL14841528 0.81 CTSK (0.42) CTSKUSP2SMN1; SMN2PIK3CAMTOR
SCHEMBL3430832 0.76 USP2 (0.42) USP2SMN1; SMN2PIK3CAMTORPIK3CG
SCHEMBL3400756 0.75 SMN1; SMN2 (0.43) CTSSCTSKKCNH2SMN1; SMN2PIK3CA
SCHEMBL30125072 0.74 ACKR3 (0.49) TLR8ACKR3KMT5A
SCHEMBL11981703 0.74 ACKR3 (0.46) TLR8ACKR3KMT5A
SCHEMBL8900229 0.74 ACKR3 (0.49) TLR8ACKR3KMT5A

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 TLR8 3862/4885ACKR3 2289/4885CTSS 4111/4885

“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.