SCHEMBL9105468

SCHEMBL9105468

CCOC(=O)N(S)C(=O)Nc1cc(Br)ccn1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RIOK2 Q9BVS4 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PKM P14618 1/20 0.40
NTRK1 P04629 1/20 0.40
SORT1 Q99523 1/20 0.39
EGFR P00533 1/20 0.39
ERBB3 P21860 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 1/20 0.39
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
GRM5 P41594 3/20 0.36
PIK3C3 Q8NEB9 1/20 0.36
GSK3B P49841 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
SCHEMBL15536995 0.85 NOS1 (0.48) RIOK2NPC1RAB9ASMN1; SMN2PKM
SCHEMBL14812038 0.81 RAB9A (0.51) NPC1RAB9AGAA
SCHEMBL28698577 0.80 PIK3C3 (0.48) RIOK2NPC1RAB9ASMN1; SMN2PKM
SCHEMBL3218972 0.74 NPC1 (0.53) NPC1RAB9ASMN1; SMN2L3MBTL1LMNA
SCHEMBL1554419 0.72 RIOK2 (0.57) RIOK2NPC1RAB9ASMN1; SMN2NTRK1
SCHEMBL477127 0.71 SMN1; SMN2 (0.53) RIOK2NPC1RAB9ASMN1; SMN2NTRK1
SCHEMBL16923772 0.70 JAK2 (0.51) RIOK2NPC1RAB9ASMN1; SMN2NTRK1
SCHEMBL30185638 0.70 JAK2 (0.51) RIOK2NPC1RAB9ASMN1; SMN2NTRK1
SCHEMBL28610054 0.70 L3MBTL1 (0.51) RIOK2NPC1RAB9ASMN1; SMN2PKM
SCHEMBL3228237 0.70 ALDH1A1 (0.38) SMN1; SMN2EGFRL3MBTL1ALDH1A1GAA

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 RIOK2 561/4885NPC1 3673/4885RAB9A 492/4885

“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.