SCHEMBL216192

SCHEMBL216192

CC(C)(C)OC(=O)Nc1ccc2nn(Cc3ccc(Cl)c(Cl)c3)c(=O)n2c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.46
MAPK14 Q16539 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
CYP17A1 P05093 1/20 0.39
SLC5A2 P31639 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
TP53 P04637 2/20 0.37
SCD O00767 2/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
TSHR P16473 2/20 0.37
HTT P42858 2/20 0.37
GPR139 Q6DWJ6 2/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL407427 0.86 SMN1; SMN2 (0.45) PTGDR2SLC5A2SMN1; SMN2TP53ALDH1A1
SCHEMBL216937 0.84 SMN1; SMN2 (0.47) PTGDR2SMN1; SMN2TP53SCDALDH1A1
SCHEMBL214943 0.83 SCD (0.51) SLC5A2SCDGPR139POLB
SCHEMBL216751 0.80 SLC5A2 (0.40) PTGDR2SLC5A2SMN1; SMN2TP53SCD
SCHEMBL22162382 0.77 PSMB8 (0.45) PTGDR2MAPK14HDAC3HDAC8NCOR2
SCHEMBL406980 0.76 SLC5A2 (0.43) SLC5A2SMN1; SMN2LMNATSHRHTT
SCHEMBL216748 0.75 EGLN1 (0.44) SLC5A2TSHR
SCHEMBL216803 0.74 SCD (0.55) PTGDR2SLC5A2SCDLMNAHTT
SCHEMBL2735997 0.74 IKBKB (0.48) PTGDR2HDAC8SMN1; SMN2TP53LMNA
SCHEMBL215875 0.74 SMN1; SMN2 (0.45) SLC5A2SMN1; SMN2ALDH1A1LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065227-A1 TRIAZOLOPYRIDINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS GILEAD SCIENCES, INC. (US) 2012-03-15 US claimed
US-8088792-B2 Triazolopyridinone derivatives for use as stearoyl CoA desaturase inhibitors GILEAD SCIENCES, INC. (US) 2012-01-03 US claimed
EP-2268637-A1 TRIAZOLOPYRIDINONE DERIVATIVES FOR USE AS STEAROYL COA DESATURASE INHIBITORS Gilead Sciences, Inc. (US) 2011-01-05 EP claimed
WO-2009137201-A1 TRIAZOLOPYRIDINONE DERIVATIVES FOR USE AS STEAROYL COA DESATURASE INHIBITORS CV THERAPEUTICS, INC. (US) 2009-11-12 WO claimed
US-20090253738-A1 TRIAZOLOPYRIDINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS GILEAD PALO ALTO, INC. 2009-10-08 US claimed
US-20120065227-A1 TRIAZOLOPYRIDINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS GILEAD SCIENCES, INC. (US) 2012-03-15 US disclosed
US-8088792-B2 Triazolopyridinone derivatives for use as stearoyl CoA desaturase inhibitors GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-8088792-B2 Triazolopyridinone derivatives for use as stearoyl CoA desaturase inhibitors GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
EP-2268637-A1 TRIAZOLOPYRIDINONE DERIVATIVES FOR USE AS STEAROYL COA DESATURASE INHIBITORS Gilead Sciences, Inc. (US) 2011-01-05 EP disclosed
WO-2009137201-A1 TRIAZOLOPYRIDINONE DERIVATIVES FOR USE AS STEAROYL COA DESATURASE INHIBITORS CV THERAPEUTICS, INC. (US) 2009-11-12 WO disclosed
US-20090253738-A1 TRIAZOLOPYRIDINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS GILEAD PALO ALTO, INC. 2009-10-08 US disclosed
US-20090253738-A1 TRIAZOLOPYRIDINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS GILEAD PALO ALTO, INC. 2009-10-08 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 (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-20120065227-A1 TRIAZOLOPYRIDINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS SCD, SCD5, FASN PTGDR2 1167/4885MAPK14 1776/4885HDAC3 468/4885
US-20090253738-A1 TRIAZOLOPYRIDINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS SCD, SCD5, FASN PTGDR2 1167/4885MAPK14 1776/4885HDAC3 468/4885

“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.