SCHEMBL9107073

SCHEMBL9107073

Nc1ccn2nc(N3CCOCC3)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.46
MTOR P42345 4/20 0.46
PIK3R1 P27986 4/20 0.46
GAA P10253 4/20 0.45
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MET P08581 1/20 0.42
SMPD3 Q9NY59 1/20 0.42
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
GLA P06280 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PIK3CD O00329 2/20 0.38
PIK3CB P42338 2/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38
PIK3CG P48736 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
Hydrochloric Acid SCHEMBL9108118 0.99 PIK3CA (0.44) PIK3CAMTORPIK3R1GAAMAPT
SCHEMBL9104635 0.86 PDE10A (0.41) GAAMAPTNPC1RAB9ASMPD3
Hydrochloric Acid SCHEMBL16320266 0.85 PDE10A (0.40) GAAMAPTNPC1RAB9ASMPD3
SCHEMBL9109849 0.82 AHR (0.47) PIK3CAMTORPIK3R1MAPTSMN1; SMN2
SCHEMBL14812225 0.78 PIK3R1 (0.50) PIK3CAMTORPIK3R1GAAMAPT
SCHEMBL21162487 0.77 PRKDC (0.47) PIK3CAMTORPIK3R1GAAMAPT
SCHEMBL16320343 0.76 PDE10A (0.34) SMPD3MAP3K12
SCHEMBL16003482 0.76 PDE10A (0.34) SMPD3MAP3K12
SCHEMBL16003470 0.76 PDE10A (0.34) SMPD3MAP3K12
SCHEMBL9109648 0.71 ALDH1A1 (0.37) GAAMAPTSMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PIK3CA 1825/4885MTOR 4106/4885PIK3R1 2844/4885

“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.