SCHEMBL9107632

SCHEMBL9107632

Cc1c(N)ccn2nc(-c3ccccc3)nc12

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.50
NR1H2 P55055 3/20 0.47
NR1H3 Q13133 3/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
DHODH Q02127 1/20 0.47
PDE10A Q9Y233 5/20 0.44
AHR P35869 1/20 0.42
ADORA3 P0DMS8 3/20 0.41
ADORA1 P30542 2/20 0.41
ADORA2A P29274 1/20 0.41
KDM4C Q9H3R0 1/20 0.40
ALDH1A1 P00352 1/20 0.39
EGFR P00533 1/20 0.39

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
SCHEMBL19327473 0.79 PARP1 (0.61) PARP1NR1H2NR1H3NPC1RAB9A
SCHEMBL9109886 0.78 DHODH (0.64) PARP1NR1H2NR1H3NPC1RAB9A
SCHEMBL21041198 0.76 DHODH (0.57) PARP1NR1H2NR1H3NPC1RAB9A
SCHEMBL9107846 0.74 DHODH (0.52) PARP1NR1H2NR1H3NPC1RAB9A
SCHEMBL11416817 0.72 DHODH (0.50) PARP1NR1H2NR1H3NPC1RAB9A
SCHEMBL7708528 0.71 JAK2 (0.49) PARP1NR1H2NR1H3NPC1RAB9A
SCHEMBL15173442 0.70 AHR (0.78) PARP1NR1H2NR1H3NPC1RAB9A
SCHEMBL11262382 0.70 DHODH (0.55) PARP1NR1H2NR1H3NPC1RAB9A
SCHEMBL19167338 0.68 PDE10A (0.60) NR1H2NR1H3NPC1RAB9APDE10A
SCHEMBL9104569 0.68 PDE10A (0.54) PARP1NR1H2NR1H3NPC1RAB9A

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 PARP1 1311/4885NR1H2 3239/4885NR1H3 3794/4885

“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.