SCHEMBL1761008

SCHEMBL1761008

COc1ncnc2sc(NC(=O)N3CCN(Cc4cccc(C(=O)O)c4OC(=O)C(F)(F)F)CC3)nc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
EPHX2 P34913 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
FAAH O00519 6/20 0.35
ADORA2A P29274 3/20 0.34
ADORA2B P29275 3/20 0.34
ADORA1 P30542 3/20 0.34
GPR6 P46095 1/20 0.34
HCAR2 Q8TDS4 2/20 0.34
ACHE P22303 2/20 0.34
BCHE P06276 1/20 0.34
HTT P42858 2/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
PDCD1LG2 Q9BQ51 1/20 0.33

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
SCHEMBL1761072 0.91 ACHE (0.39) KDM4EALDH1A1EPHX2FAAHADORA2A
SCHEMBL1761045 0.91 ACHE (0.39) KDM4EALDH1A1EPHX2FAAHADORA2A
Trifluoroacetic Acid SCHEMBL1761006 0.89 FAAH (0.39) KDM4EALDH1A1EPHX2MEN1KMT2A
SCHEMBL1761025 0.87 FAAH (0.42) KDM4EALDH1A1FAAHHCAR2HTT
SCHEMBL1760992 0.83 RBP4 (0.34) EPHX2FAAHADORA2AGPR6TP53
SCHEMBL1761013 0.82 HSD17B10 (0.44) KDM4EALDH1A1MEN1KMT2AFAAH
SCHEMBL1760885 0.82 RBP4 (0.40) ALDH1A1FAAHGPR6TP53MAPK1
SCHEMBL1760988 0.81 BCHE (0.43) KDM4EALDH1A1FAAHADORA2AADORA1
SCHEMBL1761071 0.81 FAAH (0.42) KDM4EALDH1A1FAAHACHEBCHE
SCHEMBL1761054 0.80 FAAH (0.52) ALDH1A1MEN1KMT2AFAAHADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7947692-B2 Substituted thiazolo[5,4-d]pyrimidine urea derivatives HOFFMANN-LA ROCHE INC. (US) 2011-05-24 US disclosed
EP-2027132-B1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-09-15 EP disclosed
EP-2027132-A1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2009-02-25 EP disclosed
WO-2007134958-A1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-11-29 WO disclosed
US-20070270433-A1 Thiazolo-pyrimidine/pyridine urea derivatives BRINKMAN JOHN A 2007-11-22 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-20070270433-A1 Thiazolo-pyrimidine/pyridine urea derivatives ADORA2B, UTS2R, TBXA2R KDM4E 3958/4885ALDH1A1 676/4885EPHX2 1201/4885

“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.