SCHEMBL1761071

SCHEMBL1761071

COc1ncnc2sc(NC(=O)N3CCN(Cc4cccc(C)c4O)CC3)nc12

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 7/20 0.42
ACHE P22303 5/20 0.42
BCHE P06276 4/20 0.42
HTT P42858 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
PDCD1LG2 Q9BQ51 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
PKM P14618 1/20 0.38
RORC P51449 2/20 0.38
DHODH Q02127 2/20 0.38
TRPV1 Q8NER1 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL1760988 0.91 BCHE (0.43) FAAHACHEBCHEKDM4EALDH1A1
SCHEMBL1761025 0.90 FAAH (0.42) FAAHHTTKDM4EALDH1A1PDCD1LG2
SCHEMBL2934358 0.88 ACHE (0.41) ACHEBCHEHTTKDM4EALDH1A1
SCHEMBL1761054 0.87 FAAH (0.52) FAAHALDH1A1LMNAMAPTPDCD1LG2
SCHEMBL1761072 0.87 ACHE (0.39) FAAHACHEBCHEHTTKDM4E
Trifluoroacetic Acid SCHEMBL1761006 0.86 FAAH (0.39) FAAHACHEBCHEHTTKDM4E
SCHEMBL1760859 0.85 FAAH (0.50) FAAHKDM4EALDH1A1LMNAMAPT
SCHEMBL1760906 0.84 FAAH (0.46) FAAHHTTALDH1A1
SCHEMBL1761031 0.83 HSD17B10 (0.43) FAAHACHEBCHEKDM4EALDH1A1
SCHEMBL1761069 0.83 FAAH (0.42) FAAHKDM4EALDH1A1MAPTPDCD1LG2

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
US-7947692-B2 Substituted thiazolo[5,4-d]pyrimidine urea derivatives HOFFMANN-LA ROCHE INC. (US) 2011-05-24 US claimed
US-7947692-B2 Substituted thiazolo[5,4-d]pyrimidine urea derivatives HOFFMANN-LA ROCHE INC. (US) 2011-05-24 US disclosed
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
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
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 FAAH 3269/4885ACHE 2312/4885BCHE 4049/4885

“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.