SCHEMBL1083204

SCHEMBL1083204

Nc1ccc2ncn(Cc3ccc(Cl)c(Cl)c3)c(=O)n12

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
UBE2N P61088 1/20 0.51
MAPK1 P28482 1/20 0.46
SCD O00767 3/20 0.42
FSCN1 Q16658 3/20 0.41
BRD4 O60885 2/20 0.41
HSP90B1 P14625 2/20 0.40
TRAP1 Q12931 2/20 0.40
KMT2A Q03164 1/20 0.40
DBH P09172 1/20 0.39

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
SCHEMBL1082880 0.81 SMN1; SMN2 (0.46) SMN1; SMN2LMNAHTTUBE2NMAPK1
SCHEMBL1025492 0.78 SCD (0.57) SMN1; SMN2LMNAHTTUBE2NMAPK1
SCHEMBL1074629 0.78 SCD (0.45) SMN1; SMN2LMNAHTTUBE2NMAPK1
SCHEMBL1082515 0.76 SMN1; SMN2 (0.44) SMN1; SMN2LMNAHTTUBE2NMAPK1
SCHEMBL1022885 0.76 SCD (0.48) SMN1; SMN2LMNAHTTUBE2NMAPK1
SCHEMBL1072249 0.75 SCD (0.45) SMN1; SMN2LMNAHTTUBE2NMAPK1
SCHEMBL4114230 0.74 PSMB2 (0.42) SMN1; SMN2LMNAHTTMAPK1
SCHEMBL28016948 0.74 SMN1; SMN2 (0.48) SMN1; SMN2LMNAHTTUBE2NMAPK1
SCHEMBL1074313 0.74 SCD (0.41) SMN1; SMN2LMNAHTTUBE2NMAPK1
SCHEMBL1021354 0.73 SMN1; SMN2 (0.42) SMN1; SMN2LMNAHTTUBE2NMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2274308-A1 PYRROLOTRIAZINONE DERIVATIVES FOR USE AS STEAROYL COA DESATURASE INHIBITORS Gilead Sciences, Inc. (US) 2011-01-19 EP disclosed
WO-2009124259-A1 PYRROLOTRIAZINONE DERIVATIVES FOR USE AS STEAROYL COA DESATURASE INHIBITORS CV THERAPEUTICS, INC. (US) 2009-10-08 WO disclosed
US-20090253704-A1 PYRROLOTRIAZINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS CV THERAPEUTICS, 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 (1 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-20090253704-A1 PYRROLOTRIAZINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS SCD, SCD5, ECHS1 SMN1; SMN2 4467/4885LMNA 2131/4885HTT 3761/4885

“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.