SCHEMBL1761079

SCHEMBL1761079

COc1ncnc2sc(NC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)nc12

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 9/20 0.57
SMN1; SMN2 Q16637 5/20 0.57
HSD17B10 Q99714 4/20 0.57
GAA P10253 2/20 0.57
TSHR P16473 5/20 0.56
POLB P06746 2/20 0.56
USP2 O75604 1/20 0.56
TP53 P04637 1/20 0.56
ALOX15 P16050 1/20 0.56
MAPT P10636 5/20 0.55
HTT P42858 4/20 0.52
PHGDH O43175 2/20 0.50
MAPK1 P28482 1/20 0.47
KDM4E B2RXH2 1/20 0.44
ESR1 P03372 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA2B P29275 1/20 0.44
ADORA1 P30542 1/20 0.44

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
SCHEMBL3041508 0.88 PHGDH (0.47) LMNASMN1; SMN2HSD17B10GAATSHR
SCHEMBL1760933 0.86 FAAH (0.54) HTTPHGDHADORA2AADORA2BADORA1
SCHEMBL1761037 0.85 ADORA2A (0.61) LMNASMN1; SMN2HSD17B10GAAMAPT
SCHEMBL1760960 0.84 ADORA2A (0.62) LMNASMN1; SMN2GAAPOLBMAPT
SCHEMBL1760945 0.84 LMNA (0.47) LMNASMN1; SMN2HSD17B10GAAMAPT
SCHEMBL1760886 0.84 ADORA2B (0.51) SMN1; SMN2GAAADORA2AADORA2BADORA1
SCHEMBL1761019 0.84 ADORA2A (0.52) LMNASMN1; SMN2HSD17B10GAATSHR
Hydrochloric Acid SCHEMBL1760943 0.83 ADORA2A (0.51) LMNASMN1; SMN2HSD17B10GAATSHR
SCHEMBL1760937 0.83 ADORA2A (0.42) LMNASMN1; SMN2HSD17B10GAATSHR
SCHEMBL1761064 0.82 ADORA2A (0.63) ADORA2AADORA2BADORA1

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 LMNA 4674/4885SMN1; SMN2 2931/4885HSD17B10 3531/4885

“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.