SCHEMBL9104524

SCHEMBL9104524

Nc1ccn2nc(-c3ccnc(F)c3)nc2c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.41
PDE10A Q9Y233 3/20 0.39
ADORA2B P29275 3/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
MAP4K4 O95819 3/20 0.36
MINK1 Q8N4C8 3/20 0.36
TNIK Q9UKE5 3/20 0.36
IDO1 P14902 1/20 0.36
ADORA2A P29274 2/20 0.36
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CG P48736 1/20 0.35
TGFBR1 P36897 1/20 0.35
TGFBR2 P37173 1/20 0.35
MAPT P10636 1/20 0.34
DHFR P00374 1/20 0.33
SYK P43405 1/20 0.33
S1PR1 P21453 1/20 0.33

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
SCHEMBL9107539 0.83 PDE10A (0.45) AHRPDE10AMAP4K4ADORA2AS1PR1
SCHEMBL9106843 0.83 AHR (0.62) AHRPDE10AADORA2BCYP11B1CYP11B2
SCHEMBL9106396 0.81 AHR (0.50) AHRPDE10ACYP11B1CYP11B2PIK3CD
SCHEMBL9105396 0.79 CYP11B1 (0.46) AHRPDE10ACYP11B1CYP11B2ADORA2A
SCHEMBL9104569 0.76 PDE10A (0.54) AHRPDE10AADORA2BCYP11B1CYP11B2
Hydrochloric Acid SCHEMBL16341275 0.75 PDE10A (0.53) AHRPDE10AADORA2BCYP11B1CYP11B2
SCHEMBL9107552 0.74 CYP11B2 (0.44) AHRPDE10ACYP11B1CYP11B2MAP4K4
SCHEMBL9108923 0.73 HSD17B2 (0.48) AHRPDE10AADORA2APIK3CAPIK3CG
SCHEMBL9105052 0.73 TGFBR1 (0.45) AHRPDE10ACYP11B1CYP11B2PIK3CD
SCHEMBL9108000 0.73 MEN1 (0.47) AHRPDE10AMAPT

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 AHR 4111/4885PDE10A 7/4885ADORA2B 340/4885

“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.