SCHEMBL216803

SCHEMBL216803

O=C(CO)Nc1ccc2nn(Cc3ccc(Cl)c(C(F)(F)F)c3)c(=O)n2c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCD O00767 3/20 0.55
PTGDR2 Q9Y5Y4 2/20 0.42
KDR P35968 2/20 0.42
FLT1 P17948 1/20 0.42
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
FAAH O00519 1/20 0.41
MAPT P10636 1/20 0.41
SLC5A2 P31639 1/20 0.41
KCNJ5 P48544 1/20 0.40
KCNJ3 P48549 1/20 0.40

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
SCHEMBL214943 0.88 SCD (0.51) SCDSLC5A2
SCHEMBL216737 0.81 KCNN4 (0.45) PTGDR2FAAHSLC5A2
SCHEMBL407427 0.77 SMN1; SMN2 (0.45) PTGDR2LMNAHTTMAPTSLC5A2
SCHEMBL216751 0.77 SLC5A2 (0.40) SCDPTGDR2LMNAHTTMAPT
SCHEMBL216192 0.74 PTGDR2 (0.46) SCDPTGDR2LMNAHTTMAPT
SCHEMBL13004812 0.73 KDR (0.71) SCDKDRLMNAHTTMAPT
SCHEMBL1023273 0.72 SCD (0.61) SCDFAAH
SCHEMBL2318169 0.71 SCD (1.00) SCDMAPT
SCHEMBL216937 0.70 SMN1; SMN2 (0.47) SCDPTGDR2LMNAHTTMAPT
SCHEMBL216748 0.68 EGLN1 (0.44) SLC5A2

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 8 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
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
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

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 SCD 1/4885PTGDR2 1167/4885KDR 2293/4885
US-20090253738-A1 TRIAZOLOPYRIDINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS SCD, SCD5, FASN SCD 1/4885PTGDR2 1167/4885KDR 2293/4885

“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.