SCHEMBL9105052

SCHEMBL9105052

Nc1ccn2nc(-c3cccc(F)n3)nc2c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 13/20 0.45
TGFBR2 P37173 6/20 0.45
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
AHR P35869 1/20 0.36
PDE10A Q9Y233 2/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CG P48736 1/20 0.33
DYRK1A Q13627 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
SCHEMBL9104900 0.83 AHR (0.56) TGFBR1TGFBR2CYP11B1CYP11B2AHR
SCHEMBL9105396 0.77 CYP11B1 (0.46) CYP11B1CYP11B2AHRPDE10A
SCHEMBL9104569 0.74 PDE10A (0.54) CYP11B1CYP11B2AHRPDE10A
SCHEMBL9104524 0.73 AHR (0.41) TGFBR1TGFBR2CYP11B1CYP11B2AHR
Hydrochloric Acid SCHEMBL16341275 0.73 PDE10A (0.53) CYP11B1CYP11B2AHRPDE10A
SCHEMBL9107552 0.72 CYP11B2 (0.44) TGFBR1CYP11B1CYP11B2AHRPDE10A
SCHEMBL9108923 0.71 HSD17B2 (0.48) AHRPDE10APIK3CAPIK3CG
SCHEMBL9106396 0.70 AHR (0.50) CYP11B1CYP11B2AHRPDE10APIK3CD
SCHEMBL9109108 0.70 SMN1; SMN2 (0.46) CYP11B1CYP11B2AHRPDE10A
SCHEMBL9104774 0.69 JAK2 (0.48) CYP11B1CYP11B2PIK3CDPIK3CAPIK3CG

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 TGFBR1 499/4885TGFBR2 924/4885CYP11B1 478/4885

“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.