SCHEMBL2128699

SCHEMBL2128699

Cc1nc(C)c(-c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)nc1C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 18/20 0.53
SOAT1 P35610 13/20 0.52
FAAH O00519 1/20 0.46
CHRM2 P08172 1/20 0.46
DGAT2 Q96PD7 1/20 0.46
PDE10A Q9Y233 1/20 0.46
F2 P00734 1/20 0.43
F11 P03951 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
LPL P06858 1/20 0.43
LIPG Q9Y5X9 1/20 0.43

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
SCHEMBL8992350 0.81 DGAT1 (0.46) DGAT1SOAT1FAAHCHRM2DGAT2
SCHEMBL2126247 0.76 DGAT1 (0.65) DGAT1SOAT1FAAHCHRM2DGAT2
SCHEMBL5532585 0.75 DGAT1 (0.72) DGAT1SOAT1FAAHCHRM2DGAT2
SCHEMBL23339907 0.74 DGAT1 (0.67) DGAT1SOAT1FAAHCHRM2DGAT2
SCHEMBL2255445 0.74 LIPG (0.45) F11LPLLIPG
SCHEMBL2126583 0.72 DGAT1 (0.60) DGAT1SOAT1FAAHCHRM2DGAT2
SCHEMBL2254137 0.72 DGAT1 (0.68) DGAT1SOAT1FAAHCHRM2DGAT2
SCHEMBL476916 0.71 F11 (0.53) F2F11PRSS1PRSS2PRSS3
SCHEMBL21389011 0.70 LIPG (0.50) DGAT1F11LPLLIPG
SCHEMBL5532372 0.69 DGAT1 (1.00) DGAT1SOAT1FAAHCHRM2DGAT2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120289520-A1 CHEMICAL COMPOUNDS 785 ASTRAZENECA AB (SE) 2012-11-15 US disclosed
US-20120289520-A1 CHEMICAL COMPOUNDS 785 ASTRAZENECA AB (SE) 2012-11-15 US disclosed
US-20120289520-A1 CHEMICAL COMPOUNDS 785 ASTRAZENECA AB (SE) 2012-11-15 US disclosed
US-8188092-B2 Substituted pyrazines as DGAT-1 inhibitors ASTRAZENECA AB (SE) 2012-05-29 US disclosed
US-8188092-B2 Substituted pyrazines as DGAT-1 inhibitors ASTRAZENECA AB (SE) 2012-05-29 US disclosed
US-8188092-B2 Substituted pyrazines as DGAT-1 inhibitors ASTRAZENECA AB (SE) 2012-05-29 US disclosed
EP-2443096-A1 PYRAZINE CARBOXAMIDES AS INHIBITORS OF DGAT1 AstraZeneca AB (SE) 2012-04-25 EP disclosed
US-20100324068-A1 CHEMICAL COMPOUNDS 785 ASTRAZENECA AB (SE) 2010-12-23 US disclosed
US-20100324068-A1 CHEMICAL COMPOUNDS 785 ASTRAZENECA AB (SE) 2010-12-23 US disclosed
US-20100324068-A1 CHEMICAL COMPOUNDS 785 ASTRAZENECA AB (SE) 2010-12-23 US disclosed
WO-2010146395-A1 PYRAZINE CARBOXAMIDES AS INHIBITORS OF DGAT1 ASTRAZENECA AB (SE) 2010-12-23 WO disclosed
WO-2010146395-A1 PYRAZINE CARBOXAMIDES AS INHIBITORS OF DGAT1 ASTRAZENECA AB (SE) 2010-12-23 WO 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 (2 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-20100324068-A1 CHEMICAL COMPOUNDS 785 GPBAR1, DGAT1, GPR119 DGAT1 2/4885SOAT1 11/4885FAAH 829/4885
US-20120289520-A1 CHEMICAL COMPOUNDS 785 DGAT1, DGAT2, SLC5A1 DGAT1 1/4885SOAT1 9/4885FAAH 836/4885

“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.