Sugi Predict

Sugi Predict / Compounds / SCHEMBL1760976

SCHEMBL1760976

SCHEMBL1760976

COc1ncnc2sc(NC(=O)N3CCc4cccc(C(F)(F)F)c4C3)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PHGDH O43175 1/20 0.43
▸ SCN9A Q15858 1/20 0.40
▸ EGFR P00533 2/20 0.38
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ADORA2A P29274 3/20 0.36
▸ ADORA2B P29275 3/20 0.36
▸ ADORA1 P30542 3/20 0.36
▸ PDE10A Q9Y233 2/20 0.35
▸ LPAR2 Q9HBW0 1/20 0.35
▸ ACACB O00763 1/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35
▸ DRD2 P14416 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ TAS1R3 Q7RTX0 1/20 0.34

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
SCHEMBL2924809 0.87 SCN9A (0.39) PHGDHSCN9AEGFRMAPTADORA2A
SCHEMBL13176664 0.86 SCN9A (0.41) PHGDHSCN9AEGFRNPC1RAB9A
SCHEMBL1760948 0.83 PHGDH (0.43) PHGDHSCN9ANPC1RAB9AADORA2A
SCHEMBL1761075 0.77 ADORA2A (0.40) MAPTADORA2AADORA2BADORA1
SCHEMBL1761002 0.76 LIMK1 (0.46) NPC1RAB9AADORA2AADORA2BADORA1
Trifluoroacetic Acid SCHEMBL1760996 0.76 ADRA1A (0.40) ADORA2AADORA2BADORA1THRB
SCHEMBL13176908 0.76 ADORA2A (0.48) ADORA2AADORA2BADORA1KDR
SCHEMBL12592822 0.76 ADRA1A (0.44) NPC1RAB9AADORA2AADORA1THRB
SCHEMBL1761079 0.76 LMNA (0.57) PHGDHPOLBMAPTADORA2AADORA2B
Trifluoroacetic Acid SCHEMBL1760939 0.75 ADORA2A (0.39) 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 3805/4885SCN9A 2636/4885EGFR 1454/4885

“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.