SCHEMBL2930604

SCHEMBL2930604

O=C(O)N1CCN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 7/20 0.59
CYP2C19 P33261 3/20 0.59
CYP1A2 P05177 2/20 0.59
TSHR P16473 5/20 0.55
CYP2D6 P10635 5/20 0.55
HPGD P15428 1/20 0.54
SIGMAR1 Q99720 1/20 0.53
ALDH1A1 P00352 2/20 0.53
FAAH O00519 2/20 0.53
CYP3A4 P08684 5/20 0.52
HIF1A Q16665 1/20 0.52
MGLL Q99685 2/20 0.51
CYP2C9 P11712 1/20 0.49
CASP1 P29466 1/20 0.49
CASP5 P51878 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL23111591 0.91 USP2 (0.51) USP2CYP2C19CYP1A2TSHRCYP2D6
SCHEMBL23795671 0.90 USP2 (0.50) USP2CYP2C19CYP1A2TSHRCYP2D6
SCHEMBL2929974 0.85 FAAH (0.72) SIGMAR1ALDH1A1FAAH
SCHEMBL8973991 0.84 USP2 (0.56) USP2CYP2C19CYP1A2TSHRCYP2D6
SCHEMBL27629355 0.84 SIGMAR1 (0.68) SIGMAR1ALDH1A1FAAHHIF1AL3MBTL1
SCHEMBL8973698 0.81 USP2 (0.52) USP2CYP2C19CYP1A2TSHRCYP2D6
SCHEMBL8974312 0.81 USP2 (0.52) USP2CYP2C19CYP1A2TSHRCYP2D6
SCHEMBL8974017 0.80 ALDH1A1 (0.60) USP2CYP2C19CYP1A2TSHRCYP2D6
SCHEMBL3081900 0.79 GPR183 (0.54) CYP2C19TSHRCYP2D6SIGMAR1ALDH1A1
SCHEMBL24362687 0.79 USP2 (0.67) USP2CYP2C19CYP1A2TSHRCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2027132-B1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-09-15 EP claimed
EP-2027132-A1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2009-02-25 EP claimed
WO-2007134958-A1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-11-29 WO claimed
US-20070270433-A1 Thiazolo-pyrimidine/pyridine urea derivatives BRINKMAN JOHN A 2007-11-22 US claimed
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 USP2 2334/4885CYP2C19 1297/4885CYP1A2 1385/4885

“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.