SCHEMBL1761024

SCHEMBL1761024

O=C(Cl)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.67
KDM4E B2RXH2 2/20 0.63
ALDH1A1 P00352 2/20 0.63
GAA P10253 2/20 0.63
LMNA P02545 2/20 0.61
SIGMAR1 Q99720 3/20 0.57
KMT2A Q03164 3/20 0.55
HTT P42858 1/20 0.55
MEN1 O00255 2/20 0.54
S1PR1 P21453 1/20 0.53
GRK5 P34947 1/20 0.53
CDK8 P49336 1/20 0.53
S1PR5 Q9H228 1/20 0.53
KCNH2 Q12809 1/20 0.53
CACNA1I Q9P0X4 1/20 0.53
PHGDH O43175 1/20 0.52

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
SCHEMBL2929974 0.88 FAAH (0.72) FAAHKDM4EALDH1A1GAALMNA
SCHEMBL30747663 0.86 FAAH (0.67) FAAHKDM4EALDH1A1GAALMNA
SCHEMBL5547583 0.84 L3MBTL1 (0.67) FAAHKDM4EALDH1A1SIGMAR1
SCHEMBL10589645 0.83 KMT2A (0.72) FAAHKDM4EALDH1A1GAALMNA
SCHEMBL8535869 0.81 FAAH (0.60) FAAHKDM4EALDH1A1GAALMNA
SCHEMBL6861962 0.81 KDM4E (0.63) FAAHKDM4EALDH1A1GAALMNA
SCHEMBL4244138 0.79 ALDH1A1 (0.97) FAAHKDM4EALDH1A1GAALMNA
SCHEMBL17276675 0.79 FAAH (0.58) FAAHKDM4EALDH1A1GAALMNA
SCHEMBL611401 0.79 ALDH1A1 (0.68) FAAHKDM4EALDH1A1LMNASIGMAR1
SCHEMBL1760942 0.79 MEN1 (0.52) GAASIGMAR1KMT2AMEN1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101448844-B Thiazolo-pyramidine / pyridine urea derivatives as adenosine a2b receptor antagonists HOFFMANN LA ROCHE 2012-07-25 CN 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
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-B1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-09-15 EP disclosed
CN-101448844-A Thiazolo-pyramidine / pyridine urea derivatives as adenosine a2b receptor antagonists HOFFMANN LA ROCHE (CH) 2009-06-03 CN 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
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
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 3269/4885KDM4E 3958/4885ALDH1A1 676/4885

“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.