SCHEMBL9107076

SCHEMBL9107076

Cc1cncc(-c2nc3cc(N)ccn3n2)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 8/20 0.43
AHR P35869 1/20 0.41
CYP11B2 P19099 6/20 0.41
PDE10A Q9Y233 3/20 0.41
CYP11B1 P15538 3/20 0.40
PIK3CD O00329 7/20 0.39
PAK4 O96013 1/20 0.37
JAK1 P23458 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
CSNK1A1 P48729 1/20 0.37
AAK1 Q2M2I8 1/20 0.37
PIP4K2C Q8TBX8 1/20 0.37
CSNK1G1 Q9HCP0 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
CYP2A6 P11509 1/20 0.35

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
SCHEMBL15938078 0.87 AHR (0.44) PIK3CGAHRCYP11B2PDE10ACYP11B1
SCHEMBL14822662 0.83 CYP11B2 (0.54) PIK3CGAHRCYP11B2PDE10ACYP11B1
SCHEMBL14822546 0.83 AHR (0.41) PIK3CGAHRCYP11B2PDE10ACYP11B1
SCHEMBL9108000 0.79 MEN1 (0.47) AHRPDE10ACYP2A6
SCHEMBL9106396 0.78 AHR (0.50) PIK3CGAHRCYP11B2PDE10ACYP11B1
SCHEMBL9104569 0.76 PDE10A (0.54) AHRCYP11B2PDE10ACYP11B1ADORA3
SCHEMBL14822671 0.75 AHR (0.52) PIK3CGAHRCYP11B2CYP11B1PIK3CD
SCHEMBL15938473 0.75 CYP11B2 (0.45) PIK3CGAHRCYP11B2PDE10ACYP11B1
SCHEMBL9107539 0.75 PDE10A (0.45) AHRPDE10APIK3CBADORA2A
SCHEMBL15938323 0.75 CYP11B2 (0.56) PIK3CGAHRCYP11B2PDE10ACYP11B1

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 5 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-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 PIK3CG 2322/4885AHR 4111/4885CYP11B2 414/4885

“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.