SCHEMBL30896249

SCHEMBL30896249

Clc1cccc(CNc2nc(NC3CCCCC3)c3ccccc3n2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.60
BCHE P06276 3/20 0.58
ACHE P22303 3/20 0.58
CXCR4 P61073 1/20 0.55
PDE5A O76074 2/20 0.55
MAOB P27338 1/20 0.52
HTR6 P50406 1/20 0.52
NPY5R Q15761 1/20 0.52
RAD52 P43351 1/20 0.51
MERTK Q12866 3/20 0.51
ACP1 P24666 1/20 0.51
OGG1 O15527 1/20 0.51
AURKA O14965 1/20 0.51
DAPK3 O43293 1/20 0.51
JAK2 O60674 1/20 0.51
PRKD3 O94806 1/20 0.51
MAP4K4 O95819 1/20 0.51
PAK4 O96013 1/20 0.51
ABL1 P00519 1/20 0.51
NTRK1 P04629 1/20 0.51

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
SCHEMBL27224018 1.00 APP (0.60) APPBCHEACHECXCR4PDE5A
SCHEMBL14256550 0.99 APP (0.61) APPBCHEACHECXCR4PDE5A
SCHEMBL14256526 0.90 APP (0.58) APPBCHEACHECXCR4PDE5A
SCHEMBL14256545 0.86 APP (0.62) APPBCHEACHECXCR4PDE5A
SCHEMBL14266699 0.86 APP (0.59) APPBCHEACHECXCR4PDE5A
SCHEMBL14266651 0.85 APP (0.53) APPBCHEACHECXCR4PDE5A
SCHEMBL14256524 0.85 APP (0.51) APPBCHEACHECXCR4NPY5R
SCHEMBL14256539 0.84 APP (0.57) APPBCHEACHECXCR4PDE5A
SCHEMBL14256548 0.84 APP (0.57) APPBCHEACHECXCR4PDE5A
SCHEMBL14256543 0.83 APP (0.56) APPBCHEACHECXCR4PDE5A

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-20240166626-A1 Compounds and Methods for Preventing, Treating, or Ameliorating Airway Disease UNIV JEFFERSON (US) 2024-05-23 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-20240166626-A1 Compounds and Methods for Preventing, Treating, or Ameliorating Airway Disease ADRB2, ADRB1, ADRB3 APP 2904/4885BCHE 2881/4885ACHE 2910/4885

“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.