SCHEMBL10289477

SCHEMBL10289477

O=Nc1ccc2c(c1)CNC2

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PNMT P11086 7/20 0.43
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
ADRA2A P08913 3/20 0.34
ADRA2B P18089 2/20 0.34
ADRA2C P18825 2/20 0.34
ASIC3 Q9UHC3 1/20 0.34
NOS3 P29474 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 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
SCHEMBL28137126 0.84 ASIC3 (0.55) PNMTADRA2AADRA2BADRA2CASIC3
SCHEMBL10263631 0.84 PNMT (0.63) PNMTADRA2AADRA2BADRA2CNOS3
SCHEMBL10275788 0.83 ALDH1A1 (0.34) PNMTALDH1A1HTT
SCHEMBL17813289 0.78 PNMT (0.43) PNMTDDB1CRBNADRA2AADRA2B
SCHEMBL16409854 0.75 PNMT (0.42) PNMTDDB1CRBNADRA2AADRA2B
Hydrochloric Acid SCHEMBL16394225 0.74 PNMT (0.41) PNMTDDB1CRBNADRA2AADRA2B
SCHEMBL28154990 0.72 PNMT (0.43) PNMTADRA2AADRA2BADRA2C
SCHEMBL13063374 0.71 ADRA2A (0.52) ADRA2AADRA2BADRA2CALDH1A1HTT
SCHEMBL22682041 0.71 ADRA2A (0.57) ADRA2AADRA2BADRA2CALDH1A1
SCHEMBL19675288 0.69 DRD2 (0.37) PNMTDDB1CRBNADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120010191-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2012-01-12 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-20120010191-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE PDXK, BTK, LCK PNMT 1016/4885DDB1 1287/4885CRBN 2562/4885

“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.