SCHEMBL2790640

SCHEMBL2790640

COC(=O)CNCc1ccc(N)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 2/20 0.37
▸ CD274 Q9NZQ7 2/20 0.37
▸ XDH P47989 2/20 0.36
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35
▸ ADORA2A P29274 2/20 0.34
▸ MBOAT4 Q96T53 1/20 0.34
▸ PPIB P23284 1/20 0.34
▸ PPIA P62937 1/20 0.34
▸ PPID Q08752 1/20 0.34
▸ PPIG Q13427 1/20 0.34
▸ MYC P01106 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL31028364 0.81 MBOAT4 (0.42) MBOAT4MEN1ALDH1A1LMNAMAPT
SCHEMBL9267515 0.81 MBOAT4 (0.42) MBOAT4MEN1ALDH1A1LMNAMAPT
SCHEMBL2790894 0.81 KDM5B (0.39) PPIBKDM4CKDM5B
SCHEMBL9655979 0.76 MIF (0.44) ALDH1A1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL14659877 0.75 TLR7 (0.42) PDCD1CD274CA2ALDH1A1
Hydrochloric Acid SCHEMBL16585744 0.74 SMN1; SMN2 (0.54) MEN1ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL18041383 0.74 FTO (0.42) CA12CA1CA2CA9CA14
SCHEMBL24656203 0.71 PIK3CD (0.47) CD274CA12CA1CA2CA9
SCHEMBL21682662 0.71 CA12 (0.45) CA12CA1CA2CA9LMNA
SCHEMBL29632040 0.71 CA12 (0.45) CA12CA1CA2CA9LMNA

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
EP-1963313-B1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE (DGAT) MADRIGAL PHARMACEUTICALS INC (US) 2012-11-14 — — EP disclosed
US-20100190979-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. 2010-07-29 — — US disclosed
US-20100168419-A1 Diacylglycerol Acyltransferase Inhibitors BOLIN DAVID ROBERT 2010-07-01 — — US disclosed
US-7714126-B2 Diacylglycerol acyltransferase inhibitors VIA PHARMACEUTICALS, INC. (US) 2010-05-11 — — US disclosed
EP-1963313-A2 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE (DGAT) F.HOFFMANN-LA ROCHE AG (CH) 2008-09-03 — — EP disclosed
WO-2007060140-A2 INHIBITORS OF DIACYGLYCEROL ACYLTRANSFERASE (DGAT) F. HOFFMANN-LA ROCHE AG (CH) 2007-05-31 — — WO disclosed
US-20070123504-A1 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. 2007-05-31 — — 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 (3 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-20100168419-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT PDCD1 4771/4885CD274 4880/4885XDH 1498/4885
US-20100190979-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS DGAT2, DGAT1, LCAT PDCD1 4771/4885CD274 4880/4885XDH 1498/4885
US-20070123504-A1 Diacylglycerol acyltransferase inhibitors DGAT2, DGAT1, LCAT PDCD1 4771/4885CD274 4880/4885XDH 1498/4885

“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.

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