SCHEMBL9873084

SCHEMBL9873084

Nc1nc2c(s1)CC(C(=O)O)CC2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.66
LMNA P02545 1/20 0.52
POLB P06746 1/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.52
HSD17B10 Q99714 1/20 0.52
SCN3A Q9NY46 4/20 0.47
SCN4A P35499 3/20 0.47
DRD3 P35462 6/20 0.47
DRD2 P14416 5/20 0.47
HRH2 P25021 3/20 0.47
ADRA2A P08913 2/20 0.47
DRD4 P21917 2/20 0.47
HRH1 P35367 2/20 0.47
HRH4 Q9H3N8 2/20 0.47
ADRB2 P07550 1/20 0.47
HTR1A P08908 1/20 0.47

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
SCHEMBL9874973 0.83 PDK1 (0.52) PDK1LMNAPOLBGAAMAPT
SCHEMBL13483223 0.81 PDK1 (0.66) PDK1LMNAMAPTHTTHSD17B10
SCHEMBL1030772 0.79 PDK1 (0.71) PDK1LMNAPOLBGAAMAPT
Bromide SCHEMBL1030770 0.78 PDK1 (0.70) PDK1LMNAPOLBGAAMAPT
SCHEMBL3025573 0.77 SCN4A (0.62) LMNAPOLBGAAMAPTTSHR
SCHEMBL9872176 0.77 SCN3A (0.52) LMNAPOLBGAAMAPTTSHR
SCHEMBL3537545 0.76 PDK1 (0.56) PDK1LMNAMAPTHTTHSD17B10
SCHEMBL31214169 0.75 SCN4A (0.67) SCN3ASCN4ADRD3DRD2HRH2
SCHEMBL1028051 0.75 PDK1 (0.58) PDK1LMNAMAPTTSHRHTT
SCHEMBL1028052 0.75 PDK1 (0.58) PDK1LMNAMAPTTSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070191439-A1 Intermediates for the preparation of pramipexole DIPHARMA S.P.A. (IT) 2007-08-16 US disclosed
US-4988699-A Treatment of psychological disorders such as schizophrenia, as antipsychotic agents and hypotensive agents WARNER-LAMBERT COMPANY (US) 1991-01-29 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-20070191439-A1 Intermediates for the preparation of pramipexole CYP11B2, CYP11B1, CYP4A11 PDK1 288/4885LMNA 671/4885POLB 735/4885

“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.