SCHEMBL2126583

SCHEMBL2126583

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

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 20/20 0.60
SOAT1 P35610 15/20 0.59
FAAH O00519 1/20 0.51
CHRM2 P08172 1/20 0.51
DGAT2 Q96PD7 1/20 0.51
PDE10A Q9Y233 1/20 0.51

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
SCHEMBL2126247 0.83 DGAT1 (0.65) DGAT1SOAT1FAAHCHRM2DGAT2
SCHEMBL5532585 0.81 DGAT1 (0.72) DGAT1SOAT1FAAHCHRM2DGAT2
SCHEMBL23339907 0.81 DGAT1 (0.67) DGAT1SOAT1FAAHCHRM2DGAT2
SCHEMBL2127934 0.79 DGAT1 (0.60) DGAT1SOAT1
SCHEMBL2254137 0.79 DGAT1 (0.68) DGAT1SOAT1FAAHCHRM2DGAT2
SCHEMBL5532372 0.75 DGAT1 (1.00) DGAT1SOAT1FAAHCHRM2DGAT2
SCHEMBL16500237 0.75 DGAT1 (0.64) DGAT1SOAT1FAAHCHRM2DGAT2
SCHEMBL5576711 0.73 DGAT1 (0.72) DGAT1SOAT1FAAHCHRM2DGAT2
SCHEMBL5533599 0.73 DGAT1 (0.76) DGAT1SOAT1FAAHCHRM2DGAT2
SCHEMBL8992167 0.73 DGAT1 (0.55) 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 11 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

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.