SCHEMBL9108923

SCHEMBL9108923

Nc1ccn2nc(-c3cccc(O)c3)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 3/20 0.48
CSNK1D P48730 5/20 0.47
HSD17B1 P14061 2/20 0.45
PIK3CG P48736 1/20 0.44
PDE10A Q9Y233 3/20 0.43
AHR P35869 2/20 0.42
CA12 O43570 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA14 Q9ULX7 1/20 0.41
PIK3CA P42336 1/20 0.40
FYN P06241 2/20 0.39
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
SRC P12931 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
SCHEMBL9104569 0.83 PDE10A (0.54) PDE10AAHRALDH1A1ADORA3ADORA2A
SCHEMBL9105396 0.83 CYP11B1 (0.46) CSNK1DPDE10AAHRFYNADORA2A
Hydrochloric Acid SCHEMBL16341275 0.82 PDE10A (0.53) PDE10AAHRALDH1A1ADORA3ADORA2A
SCHEMBL9104238 0.80 DYRK1A (0.47) CSNK1DPDE10AAHRALDH1A1TDP1
SCHEMBL9108000 0.77 MEN1 (0.47) PDE10AAHRALDH1A1TDP1
SCHEMBL9107226 0.77 PDE10A (0.40) CSNK1DPDE10AAHRTDP1
SCHEMBL9106396 0.76 AHR (0.50) CSNK1DPIK3CGPDE10AAHR
SCHEMBL9109108 0.75 SMN1; SMN2 (0.46) PDE10AAHRALDH1A1TDP1ADORA3
SCHEMBL9108532 0.75 RAD51 (0.40) CSNK1DPDE10AAHR
SCHEMBL15558291 0.75 ALDH1A1 (0.49) PDE10AAHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349824-B2 Triazolopyridine compounds HOFFMANN-LA ROCHE INC. (US) 2013-01-08 US claimed
US-20120142665-A1 TRIAZOLOPYRIDINE COMPOUNDS HOFFMANN-LA ROCHE INC. 2012-06-07 US claimed
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
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

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 HSD17B2 1556/4885CSNK1D 342/4885HSD17B1 1260/4885

“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.