SCHEMBL1760948

SCHEMBL1760948

COc1ncnc2sc(NC(=O)N3CCc4cc(C(F)(F)F)ccc4C3)nc12

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.43
TRPV1 Q8NER1 1/20 0.41
SCN9A Q15858 1/20 0.41
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
NAMPT P43490 5/20 0.39
THRB P10828 1/20 0.39
ADORA2A P29274 3/20 0.39
ADORA2B P29275 3/20 0.39
ADORA1 P30542 3/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
PTK2 Q05397 1/20 0.37
ABHD6 Q9BV23 1/20 0.37
CSNK1D P48730 1/20 0.37

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
SCHEMBL2930872 0.86 TRPV1 (0.40) PHGDHTRPV1SCN9AADORA2ACSNK1D
SCHEMBL1760976 0.83 PHGDH (0.43) PHGDHSCN9ATHRBADORA2AADORA2B
SCHEMBL1761002 0.81 LIMK1 (0.46) TRPV1ADORA2AADORA2BADORA1NPC1
SCHEMBL13176381 0.81 PHGDH (0.36) PHGDHTRPV1SCN9AESR1ESR2
SCHEMBL1761079 0.80 LMNA (0.57) PHGDHESR1ADORA2AADORA2BADORA1
SCHEMBL1761037 0.79 ADORA2A (0.61) ESR1ESR2ADORA2AADORA2BADORA1
SCHEMBL1760960 0.78 ADORA2A (0.62) ADORA2AADORA2BADORA1
SCHEMBL1760933 0.78 FAAH (0.54) PHGDHADORA2AADORA2BADORA1NPC1
SCHEMBL1761075 0.78 ADORA2A (0.40) ADORA2AADORA2BADORA1
SCHEMBL1761017 0.78 CYP2D6 (0.44) 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 6 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
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 PHGDH 3805/4885TRPV1 219/4885SCN9A 2636/4885

“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.