SCHEMBL4775261

SCHEMBL4775261

Cc1c(C(=O)CN)sc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.61
RXFP1 Q9HBX9 2/20 0.55
PRNP P04156 1/20 0.55
LIMK1 P53667 2/20 0.50
IKBKB O14920 1/20 0.47
ALDH1A1 P00352 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 2/20 0.46
OGG1 O15527 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
ATM Q13315 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAOB P27338 1/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 1/20 0.44

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
Hydrochloric Acid SCHEMBL4775352 0.98 HSD11B1 (0.59) HSD11B1RXFP1PRNPLIMK1IKBKB
SCHEMBL4834908 0.85 HSD11B1 (0.62) HSD11B1RXFP1PRNPLIMK1IKBKB
SCHEMBL13963145 0.85 HSD11B1 (0.62) HSD11B1RXFP1PRNPLIMK1IKBKB
SCHEMBL7984156 0.83 HSD11B1 (0.61) HSD11B1RXFP1PRNPLIMK1IKBKB
SCHEMBL2099000 0.83 HSD11B1 (0.61) HSD11B1RXFP1PRNPLIMK1IKBKB
SCHEMBL14380707 0.83 HSD11B1 (0.61) HSD11B1RXFP1PRNPLIMK1IKBKB
SCHEMBL29483598 0.81 LIMK1 (0.68) HSD11B1RXFP1PRNPLIMK1IKBKB
SCHEMBL2702750 0.81 LIMK1 (0.68) HSD11B1RXFP1PRNPLIMK1IKBKB
SCHEMBL718477 0.81 HSD11B1 (0.58) HSD11B1RXFP1PRNPLIMK1IKBKB
SCHEMBL7984329 0.81 HSD11B1 (0.62) HSD11B1RXFP1PRNPLIMK1IKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636217-B1 2-IMIDAZO-BENZOTHIAZOLES AS ADENOSINE RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2008-09-03 EP disclosed
EP-1450796-B1 BENZOTHIAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-04-09 EP disclosed
US-7122545-B2 Imidazo-benzothiazoles HOFFMANN-LA ROCHE INC. (US) 2006-10-17 US disclosed
EP-1636217-A1 2-IMIDAZO-BENZOTHIAZOLES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-22 EP disclosed
WO-2004101558-A1 2-IMIDAZO-BENZOTHIAZOLES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-25 WO disclosed
US-20040229862-A1 Imidazo-benzothiazoles F. HOFFMAN-LA ROCHE AG (CH) 2004-11-18 US disclosed
US-6596718-B1 A compound of formula I has a good affinity to the A2A receptor and is useful for the treatment of diseases mediated by this receptor. HOFFMANN-LA ROCHE INC. 2003-07-22 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-20040229862-A1 Imidazo-benzothiazoles ADORA1, ADORA3, ADORA2A HSD11B1 3316/4885RXFP1 10/4885PRNP 4053/4885

“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.