SCHEMBL9105580

SCHEMBL9105580

Fc1ncccc1-c1nc2cc(Br)ccn2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 6/20 0.54
CYP11B2 P19099 3/20 0.41
CYP11B1 P15538 1/20 0.41
ROCK2 O75116 1/20 0.37
PDE10A Q9Y233 3/20 0.35
PDE2A O00408 1/20 0.35
PDE5A O76074 1/20 0.35
PDE11A Q9HCR9 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
TGFBR1 P36897 1/20 0.32
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CG P48736 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 1/20 0.31
MAT2A P31153 1/20 0.31

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
SCHEMBL9107552 0.84 CYP11B2 (0.44) AHRCYP11B2CYP11B1PDE10AMAOA
SCHEMBL9110634 0.76 AHR (0.54) AHRCYP11B2CYP11B1CYP1A2CYP2C19
SCHEMBL9106843 0.74 AHR (0.62) AHRCYP11B2CYP11B1PDE10A
SCHEMBL9109438 0.72 AHR (0.64) AHRCYP11B2CYP11B1PDE10A
SCHEMBL9104900 0.72 AHR (0.56) AHRCYP11B2CYP11B1PDE10ATGFBR1
SCHEMBL9107248 0.72 AHR (0.79) AHRPDE10ANPC1RAB9A
SCHEMBL9109478 0.71 NAMPT (0.41)
SCHEMBL30601194 0.70 AHR (1.00) AHRPDE10ANPC1RAB9A
SCHEMBL26953376 0.68 MAPT (0.37) CYP11B2CYP11B1PDE10APDE2APDE5A
SCHEMBL9104806 0.67 AHR (0.61) AHRPIK3CDPIK3CAPIK3CG

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 4111/4885CYP11B2 414/4885CYP11B1 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.