SCHEMBL9104565

SCHEMBL9104565

CCN(C)c1nc2cc(N)ccn2n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 9/20 0.38
PIK3CD O00329 8/20 0.38
DPP4 P27487 1/20 0.36
PDE10A Q9Y233 2/20 0.32
TLR9 Q9NR96 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
PIK3CA P42336 2/20 0.30
PAK4 O96013 1/20 0.30
JAK1 P23458 1/20 0.30
PIK3CB P42338 1/20 0.30
CSNK1A1 P48729 1/20 0.30
AAK1 Q2M2I8 1/20 0.30
PIP4K2C Q8TBX8 1/20 0.30
CSNK1G1 Q9HCP0 1/20 0.30

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
SCHEMBL9105960 0.85 PIK3CG (0.39) PIK3CGPIK3CDTLR9TLR7PIK3CA
SCHEMBL9109851 0.84 APP (0.33) PIK3CGPIK3CD
Hydrochloric Acid SCHEMBL9108771 0.82 APP (0.32) PIK3CGPIK3CD
SCHEMBL9104427 0.81 AHR (0.49) PIK3CGPIK3CDDPP4
SCHEMBL9106453 0.81 PDE10A (0.36) PIK3CGPDE10A
Hydrochloric Acid SCHEMBL9103180 0.80 PDE10A (0.36) PIK3CGPDE10A
SCHEMBL14007016 0.73 PIK3CG (0.38) PIK3CGPIK3CDPDE10ATLR9TLR7
Hydrochloric Acid SCHEMBL22124375 0.71 PIK3CG (0.37) PIK3CGPIK3CDPDE10ATLR9TLR7
SCHEMBL20986015 0.70 ALDH1A1 (0.40) PIK3CGPIK3CD
SCHEMBL9105398 0.69 AHR (0.41) PIK3CGPIK3CDTLR9TLR7PIK3CA

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649070-B1 TRIAZOLOPYRIDINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-09-17 EP claimed
EP-2649070-A1 TRIAZOLOPYRIDINE COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2013-10-16 EP claimed
US-8349824-B2 Triazolopyridine compounds HOFFMANN-LA ROCHE INC. (US) 2013-01-08 US claimed
WO-2012076430-A1 TRIAZOLOPYRIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-14 WO claimed
US-20120142665-A1 TRIAZOLOPYRIDINE COMPOUNDS HOFFMANN-LA ROCHE INC. 2012-06-07 US claimed
EP-2649070-B1 TRIAZOLOPYRIDINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-09-17 EP disclosed
EP-2649070-B1 TRIAZOLOPYRIDINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-09-17 EP disclosed
EP-2649070-A1 TRIAZOLOPYRIDINE COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2013-10-16 EP disclosed
US-8349824-B2 Triazolopyridine compounds HOFFMANN-LA ROCHE INC. (US) 2013-01-08 US disclosed
US-8349824-B2 Triazolopyridine compounds HOFFMANN-LA ROCHE INC. (US) 2013-01-08 US disclosed
US-8349824-B2 Triazolopyridine compounds HOFFMANN-LA ROCHE INC. (US) 2013-01-08 US disclosed
WO-2012076430-A1 TRIAZOLOPYRIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-14 WO disclosed
WO-2012076430-A1 TRIAZOLOPYRIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-14 WO disclosed
US-20120142665-A1 TRIAZOLOPYRIDINE COMPOUNDS HOFFMANN-LA ROCHE INC. 2012-06-07 US disclosed
US-20120142665-A1 TRIAZOLOPYRIDINE COMPOUNDS HOFFMANN-LA ROCHE INC. 2012-06-07 US disclosed
US-20120142665-A1 TRIAZOLOPYRIDINE COMPOUNDS HOFFMANN-LA ROCHE INC. 2012-06-07 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-20120142665-A1 TRIAZOLOPYRIDINE COMPOUNDS PDE5A, PDE3A, PDE3B PIK3CG 2322/4885PIK3CD 1656/4885DPP4 42/4885

“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.