SCHEMBL1761002

SCHEMBL1761002

COc1ncnc2sc(NC(=O)N3CC=C(c4cccc(C(F)(F)F)c4)CC3)nc12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 5/20 0.46
LIMK2 P53671 5/20 0.46
TRPV1 Q8NER1 6/20 0.42
SOS1 Q07889 1/20 0.41
ADORA2A P29274 3/20 0.41
ADORA2B P29275 3/20 0.41
ADORA1 P30542 3/20 0.41
CCR2 P41597 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL2932003 0.88 LIMK1 (0.37) LIMK1LIMK2TRPV1SOS1ADORA2A
SCHEMBL1761079 0.82 LMNA (0.57) ADORA2AADORA2BADORA1KDM4EALOX15
SCHEMBL1760948 0.81 PHGDH (0.43) TRPV1ADORA2AADORA2BADORA1NPC1
SCHEMBL1761037 0.81 ADORA2A (0.61) SOS1ADORA2AADORA2BADORA1CCR2
SCHEMBL1760933 0.80 FAAH (0.54) ADORA2AADORA2BADORA1ALDH1A1NPC1
SCHEMBL1760960 0.80 ADORA2A (0.62) SOS1ADORA2AADORA2BADORA1ALDH1A1
SCHEMBL1761019 0.79 ADORA2A (0.52) LIMK1LIMK2TRPV1ADORA2AADORA2B
SCHEMBL1760886 0.79 ADORA2B (0.51) ADORA2AADORA2BADORA1SMN1; SMN2
Hydrochloric Acid SCHEMBL1760943 0.79 ADORA2A (0.51) LIMK1LIMK2TRPV1ADORA2AADORA2B
SCHEMBL1761064 0.78 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 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 LIMK1 4635/4885LIMK2 4151/4885TRPV1 219/4885

“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.