SCHEMBL6883116

SCHEMBL6883116

COC(=O)c1cc(N)c2nc(-c3ccc(Br)o3)nn2c1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 18/20 0.69
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL6884470 0.88 ADORA2A (0.69) ADORA2AALDH1A1
SCHEMBL6884324 0.86 ADORA2A (0.72) ADORA2A
SCHEMBL989656 0.83 ADORA2A (0.70) ADORA2A
SCHEMBL6886292 0.82 ADORA2A (1.00) ADORA2A
SCHEMBL6886208 0.81 ADORA2A (0.67) ADORA2A
SCHEMBL991589 0.81 ADORA2A (1.00) ADORA2A
SCHEMBL991060 0.80 ADORA2A (1.00) ADORA2A
SCHEMBL18271521 0.80 ADORA2A (0.77) ADORA2A
SCHEMBL990976 0.79 ADORA2A (1.00) ADORA2A
SCHEMBL989654 0.79 ADORA2A (1.00) ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1435952-A1 8-AMINO- 1,2,4]TRIAZOLO 1,5-A]PYRIDINE-6-CARBOXYLIC ACID AMIDE F. HOFFMANN-LA ROCHE AG (CH) 2004-07-14 EP disclosed
US-6689790-B2 8-AMINO-6-AMIDO-SUBSTITUTED-(1,2,4)TRIAZOLO(1,5-A)PYRIDINES; ADENOSINE RECEPTOR MODULATERS HOFFMANN-LA ROCHE INC. 2004-02-10 US disclosed
US-20030207911-A1 Substituted triazolopyridine compounds HOFFMANN-LA ROCHE INC. 2003-11-06 US disclosed
WO-2003030904-A1 8-AMINO-[1,2,4]TRIAZOLO[1,5-A]PYRIDINE-6-CARBOXYLIC ACID AMIDE F. HOFFMANN-LA ROCHE AG (CH) 2003-04-17 WO 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-20030207911-A1 Substituted triazolopyridine compounds ADORA1, CNR1, ADORA2B ADORA2A 5/4885ALDH1A1 1374/4885MAPT 4802/4885

“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.