SCHEMBL9106471

SCHEMBL9106471

Cc1cn2nc(-c3ccccc3)nc2cc1N

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.47
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
NR1H2 P55055 3/20 0.42
NR1H3 Q13133 3/20 0.42
AHR P35869 4/20 0.42
EGFR P00533 1/20 0.41
ADORA3 P0DMS8 5/20 0.41
ADORA2A P29274 3/20 0.41
ADORA1 P30542 3/20 0.41
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
NFKB1 P19838 1/20 0.39
HTT P42858 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 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 SCHEMBL9108349 0.98 PDE10A (0.46) PDE10ANPC1RAB9ANR1H2NR1H3
SCHEMBL9106654 0.82 AHR (0.42) PDE10AAHREGFRADORA3ADORA2A
Hydrochloric Acid SCHEMBL16341227 0.81 AHR (0.41) PDE10AAHREGFRADORA3ADORA2A
SCHEMBL17400178 0.79 PDE10A (0.47) PDE10ANPC1RAB9ANR1H2NR1H3
SCHEMBL9109492 0.78 PDE10A (0.49) PDE10ANPC1RAB9ANR1H2NR1H3
SCHEMBL14811257 0.78 AHR (0.51) PDE10AAHREGFRADORA3ADORA2A
SCHEMBL9113687 0.74 MAPT (0.45) PDE10ANR1H2NR1H3ALDH1A1HPGD
Hydrochloric Acid SCHEMBL31599999 0.74 TERT (0.34) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL19167338 0.73 PDE10A (0.60) PDE10ANPC1RAB9ANR1H2NR1H3
SCHEMBL9104569 0.73 PDE10A (0.54) PDE10ANPC1RAB9ANR1H2NR1H3

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 PDE10A 7/4885NPC1 3673/4885RAB9A 492/4885

“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.