SCHEMBL2791734

SCHEMBL2791734

CN(CCC#N)c1ccc(N)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ HRH3 Q9Y5N1 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ IRAK1 P51617 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ AOC3 Q16853 1/20 0.33
▸ AR P10275 1/20 0.33
▸ ADK P55263 1/20 0.32

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
SCHEMBL23620906 0.84 HRH3 (0.46) HCAR3HRH3ALDH1A1MAPK1PKM
SCHEMBL29449725 0.84 HRH3 (0.46) HCAR3HRH3ALDH1A1MAPK1PKM
SCHEMBL23620903 0.81 HRH3 (0.44) HCAR3HRH3PKMAOC3AR
SCHEMBL3313839 0.80 HRH3 (0.54) HCAR3HRH3PKMAOC3POLB
SCHEMBL2793987 0.80 HCAR3 (0.57) HCAR3KDM4EHRH3NPC1MAPT
SCHEMBL23634036 0.80 HRH3 (0.42) HCAR3HRH3PKMAOC3ADK
SCHEMBL30380846 0.80 HRH3 (0.54) HCAR3HRH3PKMAOC3POLB
SCHEMBL2790993 0.78 POLB (0.50) HCAR3HRH3PKMAOC3POLB
SCHEMBL23634074 0.77 ALDH1A1 (0.41) HCAR3HRH3ALDH1A1TSHRMAPK1
SCHEMBL2792146 0.77 HCAR3 (0.46) HCAR3KDM4EHRH3ALDH1A1LMNA

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 10 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 claimed
EP-1963313-A2 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE (DGAT) F.HOFFMANN-LA ROCHE AG (CH) 2008-09-03 — — EP claimed
WO-2007060140-A2 INHIBITORS OF DIACYGLYCEROL ACYLTRANSFERASE (DGAT) F. HOFFMANN-LA ROCHE AG (CH) 2007-05-31 — — WO claimed
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 HCAR3 3114/4885KDM4E 2823/4885RXFP1 4263/4885
US-20100190979-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS DGAT2, DGAT1, LCAT HCAR3 3114/4885KDM4E 2823/4885RXFP1 4263/4885
US-20070123504-A1 Diacylglycerol acyltransferase inhibitors DGAT2, DGAT1, LCAT HCAR3 3114/4885KDM4E 2823/4885RXFP1 4263/4885

“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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