SCHEMBL5558477

SCHEMBL5558477

COc1cc(C(=O)Nc2nc3c(OC)cnc(N4CCOCC4)c3s2)ccn1

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 16/20 0.75
ADORA1 P30542 5/20 0.75
ADORA2B P29275 3/20 0.60
ADORA3 P0DMS8 2/20 0.60
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
MAPT P10636 2/20 0.48
MTOR P42345 1/20 0.47

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
SCHEMBL5563861 0.92 ADORA2A (0.73) ADORA2AADORA1ADORA2BADORA3MEN1
SCHEMBL5559889 0.91 ADORA2A (0.75) ADORA2AADORA1ADORA2BADORA3MEN1
SCHEMBL5560059 0.91 ADORA2A (0.75) ADORA2AADORA1ADORA2BADORA3MEN1
SCHEMBL5565276 0.90 ADORA2A (0.81) ADORA2AADORA1ADORA2BADORA3MEN1
SCHEMBL5560317 0.88 ADORA2A (0.79) ADORA2AADORA1ADORA2BADORA3MEN1
SCHEMBL5564276 0.88 ADORA2A (0.81) ADORA2AADORA1ADORA2BADORA3MEN1
SCHEMBL5560780 0.88 ADORA2A (0.63) ADORA2AADORA1ADORA2BADORA3
SCHEMBL5565119 0.87 ADORA2A (0.69) ADORA2AADORA1ADORA2BADORA3MEN1
SCHEMBL5565192 0.87 ADORA2A (0.83) ADORA2AADORA1ADORA2BADORA3MEN1
SCHEMBL5563614 0.87 ADORA2A (0.86) ADORA2AADORA1ADORA2BADORA3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7273865-B2 Thiazolopyridine HOFFMANN-LA ROCHE INC. (US) 2007-09-25 US disclosed
US-20050065151-A1 Thiazolopyridine HOFFMANN-LA ROCHE INC. 2005-03-24 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-20050065151-A1 Thiazolopyridine ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA1 3/4885ADORA2B 4/4885

“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.