SCHEMBL5559601

SCHEMBL5559601

Nc1cc(C2CCOCC2)ncc1I

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 2/20 0.38
MAPK1 P28482 3/20 0.36
KDM5B Q9UGL1 1/20 0.35
DHFR P00374 1/20 0.34
PIK3CA P42336 6/20 0.33
PIK3CD O00329 3/20 0.33
MTOR P42345 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CTSD P07339 1/20 0.33
BACE1 P56817 1/20 0.33
LRRK2 Q5S007 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
AKT1 P31749 2/20 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
SCHEMBL5558929 0.76 LRRK2 (0.45) MAP3K12MAPK1PIK3CAMTORLRRK2
SCHEMBL23181497 0.73 L3MBTL1 (0.34) L3MBTL1
SCHEMBL29419405 0.72 PIK3CA (0.48) MAP3K12MAPK1KDM5BDHFRPIK3CA
SCHEMBL14764312 0.72 PIK3CA (0.48) MAP3K12MAPK1KDM5BDHFRPIK3CA
SCHEMBL13724214 0.70 NOTUM (0.38) MAP3K12MAPK1KDM5BDHFRPIK3CA
SCHEMBL19313503 0.70 NOTUM (0.38) MAP3K12MAPK1KDM5BDHFRPIK3CA
SCHEMBL23025135 0.70 RET (0.38) MAP3K12MAPK1KDM5BDHFRPIK3CA
SCHEMBL23181524 0.70 L3MBTL1 (0.37) L3MBTL1
SCHEMBL5559958 0.69 PIK3CD (0.43) MAP3K12MAPK1KDM5BDHFRPIK3CA
SCHEMBL30367774 0.68 CYP1A2 (0.44) KDM5BPIK3CAPIK3CDL3MBTL1

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 8 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-7273865-B2 Thiazolopyridine HOFFMANN-LA ROCHE INC. (US) 2007-09-25 US disclosed
US-7273865-B2 Thiazolopyridine HOFFMANN-LA ROCHE INC. (US) 2007-09-25 US disclosed
EP-1670805-A1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-21 EP disclosed
WO-2005028484-A1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2005-03-31 WO disclosed
US-20050065151-A1 Thiazolopyridine HOFFMANN-LA ROCHE INC. 2005-03-24 US disclosed
US-20050065151-A1 Thiazolopyridine HOFFMANN-LA ROCHE INC. 2005-03-24 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 MAP3K12 3414/4885MAPK1 3067/4885KDM5B 3938/4885

“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.