SCHEMBL6181250

SCHEMBL6181250

CCOc1cc(C(=O)Nc2nc3c(OC)ccc(C4CCOCC4)c3s2)ccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.51
ADORA1 P30542 3/20 0.51
ADORA2B P29275 1/20 0.47
CHRM4 P08173 2/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
POLB P06746 1/20 0.45
MAPT P10636 4/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
PKM P14618 1/20 0.43
ATM Q13315 1/20 0.43
SAE1 Q9UBE0 1/20 0.43
UBA2 Q9UBT2 1/20 0.43

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
SCHEMBL6180413 0.93 ADORA2A (0.54) ADORA2AADORA1ADORA2BCHRM4KMT2A
SCHEMBL6182887 0.89 ADORA2A (0.51) ADORA2AADORA1ADORA2BCHRM4KMT2A
SCHEMBL6178283 0.89 ADORA2A (0.52) ADORA2AADORA1ADORA2BCHRM4KMT2A
SCHEMBL6180215 0.88 ADORA2A (0.54) ADORA2AADORA1ADORA2BCHRM4KMT2A
SCHEMBL6177532 0.88 ADORA2A (0.51) ADORA2AADORA1ADORA2BCHRM4KMT2A
SCHEMBL6178935 0.87 ADORA2A (0.53) ADORA2AADORA1ADORA2BCHRM4KMT2A
SCHEMBL5043994 0.87 ADORA2A (0.51) ADORA2AADORA1ADORA2BCHRM4KMT2A
SCHEMBL5563300 0.86 CHRM4 (0.44) ADORA2AADORA1ADORA2BCHRM4KMT2A
SCHEMBL6180137 0.86 ADORA2A (0.52) ADORA2AADORA1ADORA2BCHRM4KMT2A
SCHEMBL7122812 0.85 ADORA2A (0.49) ADORA2AADORA1ADORA2BCHRM4KMT2A

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
EP-1456202-B1 BENZOTHIAZOLES HOFFMANN LA ROCHE (CH) 2005-11-09 EP claimed
EP-1456202-A1 BENZOTHIAZOLES F. Hoffman-la Roche AG (CH) 2004-09-15 EP claimed
US-6734179-B2 SULFUR COMPOUNDS SUCH AS 4-FLUORO-N-(4-METHOXY-7-(TETRAHYDRO-PYRAN-4-YL)-BENZOTHIAZOL-2-YL) -BENZAMIDE, USED AS PREFERENTIAL ADENOSINE RECEPTOR LIGANDS FOR THE PROPHYLAXIS OF NEURODEGENERATIVE DISORDERS HOFFMANN-LA ROCHE INC. 2004-05-11 US claimed
US-20030144288-A1 Benzothiazoles F. HOFFMAN-LA ROCHE AG A SWISS COMPANY (CH) 2003-07-31 US claimed
WO-2003053961-A1 BENZOTHIAZOLES F. HOFFMAN-LA ROCHE AG (CH) 2003-07-03 WO claimed
EP-1456202-B1 BENZOTHIAZOLES HOFFMANN LA ROCHE (CH) 2005-11-09 EP disclosed
US-6734179-B2 SULFUR COMPOUNDS SUCH AS 4-FLUORO-N-(4-METHOXY-7-(TETRAHYDRO-PYRAN-4-YL)-BENZOTHIAZOL-2-YL) -BENZAMIDE, USED AS PREFERENTIAL ADENOSINE RECEPTOR LIGANDS FOR THE PROPHYLAXIS OF NEURODEGENERATIVE DISORDERS HOFFMANN-LA ROCHE INC. 2004-05-11 US disclosed
US-20030144288-A1 Benzothiazoles F. HOFFMAN-LA ROCHE AG A SWISS COMPANY (CH) 2003-07-31 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-20030144288-A1 Benzothiazoles ADORA2A, ADORA1, ADORA2B ADORA2A 1/4885ADORA1 2/4885ADORA2B 3/4885

“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.