SCHEMBL2787969

SCHEMBL2787969

Nc1cnc(N)c(C2CCCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TDO2 P48775 2/20 0.44
▸ MAP3K12 Q12852 2/20 0.36
▸ FEN1 P39748 8/20 0.34
▸ ALOX5AP P20292 6/20 0.33
▸ HRH4 Q9H3N8 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PDGFRB P09619 1/20 0.33
▸ PDGFRA P16234 1/20 0.33
▸ ADK P55263 1/20 0.32
▸ ATR Q13535 1/20 0.32
▸ CAMKK2 Q96RR4 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ GFER P55789 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
SCHEMBL2789204 0.98 TDO2 (0.46) TDO2MAP3K12FEN1ALOX5APNPC1
SCHEMBL3938498 0.96 TDO2 (0.40) TDO2MAP3K12FEN1ALOX5AP
SCHEMBL2794267 0.92 MAP3K12 (0.34) TDO2MAP3K12
SCHEMBL21848173 0.83 MAPK1 (0.38) MAP3K12
Hydrochloric Acid SCHEMBL1874318 0.82 HRH4 (0.40) HRH4
SCHEMBL20265805 0.80 HTR1D (0.44) MAP3K12SMN1; SMN2
SCHEMBL28495924 0.78 MAP3K12 (0.35) MAP3K12
SCHEMBL30615559 0.78 MAP3K12 (0.35) MAP3K12
SCHEMBL3316709 0.74 ADRA1A (0.38) —
SCHEMBL31378832 0.73 TDO2 (0.33) TDO2

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 TDO2 1146/4885MAP3K12 2100/4885FEN1 4739/4885
US-20100190979-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS DGAT2, DGAT1, LCAT TDO2 1146/4885MAP3K12 2100/4885FEN1 4739/4885
US-20070123504-A1 Diacylglycerol acyltransferase inhibitors DGAT2, DGAT1, LCAT TDO2 1146/4885MAP3K12 2100/4885FEN1 4739/4885

“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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