SCHEMBL1760945

SCHEMBL1760945

COc1ncnc2sc(NC(=O)N3CCN(CCOc4cccc(C(F)(F)F)c4)CC3)nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
GAA P10253 2/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
ADORA2A P29274 4/20 0.43
ADORA2B P29275 3/20 0.43
ADORA1 P30542 3/20 0.43
FAAH O00519 2/20 0.42
DRD2 P14416 3/20 0.41
DRD3 P35462 2/20 0.41
LTA4H P09960 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
HTR1A P08908 1/20 0.40
HTR7 P34969 1/20 0.40
EPHX2 P34913 1/20 0.40

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
SCHEMBL2923724 0.89 KDM4E (0.46) LMNAGAAKDM4EALDH1A1HTT
SCHEMBL1760933 0.87 FAAH (0.54) ALDH1A1HTTKMT2AADORA2AADORA2B
SCHEMBL1761079 0.84 LMNA (0.57) LMNAGAAKDM4EHTTADORA2A
SCHEMBL12592885 0.84 ADORA2A (0.43) ADORA2AADORA2BADORA1
SCHEMBL1760934 0.84 ADORA2A (0.43) ADORA2AADORA2BADORA1
SCHEMBL1761017 0.82 CYP2D6 (0.44) ALDH1A1ADORA2AADORA2BADORA1FAAH
SCHEMBL1760937 0.82 ADORA2A (0.42) LMNAGAAADORA2AADORA2BADORA1
SCHEMBL1760886 0.81 ADORA2B (0.51) GAAKMT2AADORA2AADORA2BADORA1
SCHEMBL1760908 0.81 FAAH (0.51) LMNAGAAALDH1A1HTTKMT2A
SCHEMBL1761037 0.81 ADORA2A (0.61) LMNAGAAHTTKMT2AADORA2A

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
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
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 LMNA 4674/4885GAA 3548/4885KDM4E 3958/4885

“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.