SCHEMBL1761017

SCHEMBL1761017

COc1ncnc2sc(NC(=O)N3CCN(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)CC3)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
FAAH O00519 3/20 0.43
PRKAB2 O43741 5/20 0.42
PRKAG1 P54619 5/20 0.42
PRKAA2 P54646 5/20 0.42
PRKAA1 Q13131 5/20 0.42
PRKAG3 Q9UGI9 5/20 0.42
PRKAG2 Q9UGJ0 5/20 0.42
PRKAB1 Q9Y478 5/20 0.42
USP2 O75604 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
ADORA2A P29274 2/20 0.41
ADORA2B P29275 2/20 0.41
ADORA1 P30542 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 1/20 0.40
RAF1 P04049 1/20 0.39
FGFR1 P11362 1/20 0.39

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
SCHEMBL1760933 0.93 FAAH (0.54) FAAHPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1760941 0.88 FAAH (0.45) FAAHALDH1A1
SCHEMBL2932276 0.88 CYP2D6 (0.41) CYP2D6TSHRUSP2CYP1A2CYP2C19
SCHEMBL1760990 0.88 PKM (0.41) FAAH
SCHEMBL1760928 0.87 FAAH (0.43) FAAHPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1760930 0.87 FAAH (0.45) FAAHPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1761042 0.86 PPARD (0.43) FAAHPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1760859 0.85 FAAH (0.50) CYP2D6FAAHUSP2CYP2C19ALDH1A1
SCHEMBL1760935 0.85 FAAH (0.43) FAAH
SCHEMBL1761028 0.85 FAAH (0.47) FAAHADORA2AADORA1HPGD

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
US-7947692-B2 Substituted thiazolo[5,4-d]pyrimidine urea derivatives HOFFMANN-LA ROCHE INC. (US) 2011-05-24 US 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 CYP2D6 1665/4885TSHR 128/4885FAAH 3269/4885

“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.