SCHEMBL9108519

SCHEMBL9108519

O=C(O)c1cc2nc(-c3ccccc3)nn2cc1F

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.49
PDE10A Q9Y233 6/20 0.47
PARP1 P09874 1/20 0.43
EGFR P00533 1/20 0.41
NAMPT P43490 3/20 0.41
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
AHR P35869 3/20 0.40
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
ACMSD Q8TDX5 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
SCHEMBL9109597 0.86 MAPT (0.44) DHODHPDE10APARP1NAMPT
SCHEMBL9109492 0.83 PDE10A (0.49) DHODHPDE10APARP1EGFRNAMPT
SCHEMBL17400178 0.78 PDE10A (0.47) PDE10AEGFRAHRNR1H2NR1H3
SCHEMBL18916742 0.78 AHR (0.42) PDE10AEGFRAHRNR1H2NR1H3
SCHEMBL9106654 0.78 AHR (0.42) PDE10APARP1EGFRAHR
Hydrochloric Acid SCHEMBL16341227 0.77 AHR (0.41) PDE10APARP1EGFRAHR
SCHEMBL31600204 0.77 KDM4E (0.37) DHODH
SCHEMBL16003469 0.77 KDM4E (0.37) AKR1C2AKR1C1
SCHEMBL20842468 0.76 PDE10A (0.42) PDE10AEGFRNAMPTAHRNR1H2
SCHEMBL9109783 0.76 PDE10A (0.70) PDE10A

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 DHODH 637/4885PDE10A 7/4885PARP1 1311/4885

“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.