SCHEMBL5142142

SCHEMBL5142142

O=C1NN[N]c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.41
CASP3 P42574 2/20 0.35
CASP7 P55210 2/20 0.35
CASP6 P55212 2/20 0.35
CASP8 Q14790 2/20 0.35
CASP2 P42575 1/20 0.35
LMNA P02545 5/20 0.35
MAPT P10636 3/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 3/20 0.35
CDC25B P30305 3/20 0.35
MEN1 O00255 2/20 0.35
MAOA P21397 3/20 0.34
MAOB P27338 2/20 0.34
PDGFRA P16234 1/20 0.34
FER P16591 1/20 0.34
LTK P29376 1/20 0.34
CDK8 P49336 1/20 0.34
ACVR1 Q04771 1/20 0.34
LRRK2 Q5S007 1/20 0.34

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
SCHEMBL334824 0.77 GSK3B (0.44) GSK3BCASP3CASP7CASP6CASP8
SCHEMBL20504712 0.77 GSK3B (0.44) GSK3BCASP3CASP7CASP6CASP8
SCHEMBL9253871 0.71 GSK3B (0.38) GSK3BCASP3CASP7CASP6CASP8
SCHEMBL8425345 0.70 CASP3 (0.45) GSK3BCASP3CASP7CASP6CASP8
SCHEMBL9255257 0.69 GSK3B (0.37) GSK3BCASP3CASP7CASP6CASP8
SCHEMBL10974212 0.69 GSK3B (0.37) GSK3BCASP3CASP7CASP6CASP8
SCHEMBL21296775 0.65 GSK3B (0.52) GSK3BCASP3CASP7CASP6CASP8
SCHEMBL555451 0.65 GSK3B (0.52) GSK3BCASP3CASP7CASP6CASP8
SCHEMBL11011352 0.64 CA12 (0.45) GSK3BCASP3CASP7CASP6CASP8
SCHEMBL3541281 0.63 GSK3B (0.48) GSK3BCASP3CASP7CASP6CASP8

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
WO-2005108374-A1 INSECTICIDAL DIAZOLE AND TRIAZOLE DERIVATIVES FMC CORPORATION (US) 2005-11-17 WO claimed
US-20070269664-A1 Gas Barrier Laminated Film and Process for Producing the Same SAI NIPPON PRINTING CO., LTD. (JP) 2007-11-22 US disclosed
WO-2005108374-A1 INSECTICIDAL DIAZOLE AND TRIAZOLE DERIVATIVES FMC CORPORATION (US) 2005-11-17 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 (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-20070269664-A1 Gas Barrier Laminated Film and Process for Producing the Same CDH1, VIL1, TET1 GSK3B 1034/4885CASP3 2581/4885CASP7 1204/4885

“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.