SCHEMBL1542472

SCHEMBL1542472

CCc1c(N)cnc(N)c1CC

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 4/20 0.47
NOS3 P29474 3/20 0.47
USP7 Q93009 12/20 0.40
DHFR P00374 1/20 0.36
NOS1 P29475 2/20 0.33
UHRF1 Q96T88 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
SCHEMBL11716876 0.84 USP7 (0.42) NOS2NOS3USP7DHFR
SCHEMBL2904338 0.79 NOS3 (0.36) NOS2NOS3USP7DHFRNOS1
SCHEMBL30019041 0.77 NOS2 (0.44) NOS2NOS3USP7DHFRNOS1
SCHEMBL22589902 0.76 NOS3 (0.35) NOS2NOS3USP7DHFR
SCHEMBL5200520 0.73 USP7 (0.43) NOS2NOS3USP7
SCHEMBL14127760 0.73 TLR8 (0.42) NOS2NOS3
SCHEMBL20343528 0.72 NOS2 (0.52) NOS2NOS3USP7DHFR
SCHEMBL23556098 0.70 NOS3 (0.37) NOS2NOS3USP7NOS1UHRF1
SCHEMBL25767334 0.70 NOS2 (0.46) NOS2NOS3USP7DHFRNOS1
SCHEMBL28257265 0.70 NOS3 (0.36) NOS2NOS3USP7DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102066377-B Novel phenylimidazopyrazines HOFFMANN LA ROCHE 2014-11-19 CN disclosed
EP-2307418-B1 NOVEL PHENYLIMIDAZOPYRAZINES HOFFMANN LA ROCHE (CH) 2014-03-12 EP disclosed
EP-1963313-B1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE (DGAT) MADRIGAL PHARMACEUTICALS INC (US) 2012-11-14 EP disclosed
CN-102066377-A Novel phenylimidazopyrazines HOFFMANN LA ROCHE 2011-05-18 CN disclosed
EP-2307418-A1 NOVEL PHENYLIMIDAZOPYRAZINES F. Hoffmann-La Roche AG (CH) 2011-04-13 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
CN-101316844-A Inhibitors of diacylglycerol acyltransferase (DGAT) HOFFMANN LA ROCHE (CH) 2008-12-03 CN disclosed
EP-1963313-A2 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE (DGAT) F.HOFFMANN-LA ROCHE AG (CH) 2008-09-03 EP disclosed
EP-1551813-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-07-11 EP disclosed
US-20070142437-A1 CHEMICAL COMPOUNDS BROWN MATTHEW L 2007-06-21 US 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
US-7189712-B2 1,3-Oxazole compounds for the treatment of cancer SMITHKLINE BEECHAM CORPORATION (US) 2007-03-13 US disclosed
US-20050288515-A1 Chemical compounds SMITHLINE BEECHAM CORPORATION 2005-12-29 US disclosed
EP-1551813-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-07-13 EP disclosed
WO-2004032882-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-04-22 WO disclosed
EP-1268437-A1 INHIBITORS OF PROTEIN KINASES Knoll GmbH (DE) 2003-01-02 EP disclosed
WO-2002030908-A1 INHIBITORS OF PROTEIN KINASES KNOLL GMBH (DE) 2002-04-18 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 (5 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 NOS2 2858/4885NOS3 3272/4885USP7 2779/4885
US-20070142437-A1 CHEMICAL COMPOUNDS CDK4, CDK2, CDK3 NOS2 1981/4885NOS3 1970/4885USP7 2924/4885
US-20100190979-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS DGAT2, DGAT1, LCAT NOS2 2858/4885NOS3 3272/4885USP7 2779/4885
US-20070123504-A1 Diacylglycerol acyltransferase inhibitors DGAT2, DGAT1, LCAT NOS2 2858/4885NOS3 3272/4885USP7 2779/4885
US-20050288515-A1 Chemical compounds CDK4, CDK2, CDK3 NOS2 1981/4885NOS3 1970/4885USP7 2924/4885

“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.