SCHEMBL8105059

SCHEMBL8105059

[2H]C([2H])([2H])Oc1cc2nc(N(C)CCCN)nc(N)c2cc1OC([2H])([2H])[2H]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 2/20 0.53
GAA P10253 2/20 0.53
LMNA P02545 1/20 0.53
POLB P06746 1/20 0.53
SMARCA2 P51531 1/20 0.53
KMT2A Q03164 1/20 0.53
ADRA1D P25100 3/20 0.50
ADRA1A P35348 3/20 0.50
ADRA1B P35368 3/20 0.50
KDM4E B2RXH2 1/20 0.48
SLC22A1 O15245 1/20 0.48
ALDH1A1 P00352 1/20 0.48
ADRA2A P08913 1/20 0.48
HPGD P15428 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
ACHE P22303 1/20 0.48
SLC6A2 P23975 1/20 0.48
DRD3 P35462 1/20 0.48
KCNH2 Q12809 1/20 0.48

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
SCHEMBL3921653 0.91 GLA (0.64) GLAGAALMNAPOLBSMARCA2
SCHEMBL14292897 0.88 LMNA (0.63) GLAGAALMNAPOLBSMARCA2
SCHEMBL8109087 0.83 LMNA (0.51) GLAGAALMNAPOLBSMARCA2
SCHEMBL13941828 0.78 LMNA (0.68) GLAGAALMNAPOLBSMARCA2
SCHEMBL14564131 0.75 KDM1A (0.58) GLAGAALMNAPOLBSMARCA2
SCHEMBL8116591 0.75 GLA (0.63) GLAGAALMNAPOLBSMARCA2
SCHEMBL5438362 0.74 GLA (0.58) GLAGAALMNAPOLBSMARCA2
SCHEMBL3103845 0.74 LMNA (0.61) GLAGAALMNAPOLBSMARCA2
SCHEMBL30815826 0.74 LMNA (0.61) GLAGAALMNAPOLBSMARCA2
Alfuzosin SCHEMBL8102871 0.74 KDM4E (0.89) GLAGAALMNAKMT2AADRA1D

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-20080039473-A1 PREPARATION AND UTILITY OF SUBSTITUTED QUINAZOLINE COMPOUNDS WITH ALPHA-ADRENERGIC BLOCKING EFFECTS AUSPEX PHARMACEUTICALS, INC. (US) 2008-02-14 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-20080039473-A1 PREPARATION AND UTILITY OF SUBSTITUTED QUINAZOLINE COMPOUNDS WITH ALPHA-ADRENERGIC BLOCKING EFFECTS ADRB1, ADRB2, ADRB3 GLA 1192/4885GAA 2357/4885LMNA 972/4885

“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.