SCHEMBL2125608

SCHEMBL2125608

Cc1nc(C)c(-c2ccc(-c3ccc(C(C)C(=O)O)cc3Cl)c(F)c2)nc1C(N)=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 14/20 1.00
SOAT1 P35610 9/20 1.00
APP P05067 2/20 0.51
PSEN1 P49768 1/20 0.51
PSEN2 P49810 1/20 0.51
APH1B Q8WW43 1/20 0.51
NCSTN Q92542 1/20 0.51
APH1A Q96BI3 1/20 0.51
PSENEN Q9NZ42 1/20 0.51
AKR1C3 P42330 2/20 0.48
AKR1C2 P52895 2/20 0.48
PTGS2 P35354 1/20 0.45

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
SCHEMBL2125252 1.00 DGAT1 (1.00) DGAT1SOAT1APPPSEN1PSEN2
SCHEMBL8215651 1.00 DGAT1 (1.00) DGAT1SOAT1APPPSEN1PSEN2
SCHEMBL13827154 0.90 DGAT1 (0.82) DGAT1SOAT1APPAKR1C3AKR1C2
SCHEMBL2126017 0.90 DGAT1 (0.81) DGAT1SOAT1PSEN1PSEN2APH1B
SCHEMBL2124795 0.89 DGAT1 (1.00) DGAT1SOAT1AKR1C3AKR1C2
SCHEMBL2125632 0.89 DGAT1 (1.00) DGAT1SOAT1AKR1C3AKR1C2
SCHEMBL2124790 0.89 DGAT1 (1.00) DGAT1SOAT1AKR1C3AKR1C2
SCHEMBL2126395 0.82 DGAT1 (0.69) DGAT1SOAT1
SCHEMBL2125412 0.81 DGAT1 (0.68) DGAT1SOAT1
SCHEMBL2126282 0.78 DGAT1 (0.72) DGAT1SOAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188092-B2 Substituted pyrazines as DGAT-1 inhibitors ASTRAZENECA AB (SE) 2012-05-29 US claimed
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
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
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 11/4885APP 3469/4885
US-20120289520-A1 CHEMICAL COMPOUNDS 785 DGAT1, DGAT2, SLC5A1 DGAT1 1/4885SOAT1 9/4885APP 1844/4885

“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.