SCHEMBL5401628

SCHEMBL5401628

Cc1nc(CCCCN)c2ccc(Br)cc2n1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.39
TLR8 Q9NR97 8/20 0.35
PDE10A Q9Y233 1/20 0.34
ACHE P22303 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
FBP1 P09467 1/20 0.34
CHEK1 O14757 1/20 0.34
F2 P00734 3/20 0.33
NQO2 P16083 1/20 0.33
HRH1 P35367 1/20 0.33
BACE1 P56817 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
SCHEMBL3975236 0.69 CYP1B1 (0.39)
SCHEMBL5402128 0.68 MPO (0.43) MPOPDE10AACHEHRH4FBP1
SCHEMBL7427955 0.68 MPO (0.46) MPOPDE10AACHEHRH4FBP1
SCHEMBL3974657 0.67 SLC2A1 (0.50) FBP1
SCHEMBL5397567 0.66 PTGES (0.42) MPOPDE10AACHEHRH4FBP1
SCHEMBL6923005 0.65 PARP1 (0.48) PDE10ACHEK1
SCHEMBL5401620 0.65 ACP1 (0.46) TLR8FBP1
SCHEMBL11985926 0.64 MPO (0.49) MPOACHEHRH4F2NQO2
SCHEMBL5225815 0.64 PYCR1 (0.41) MPOCHEK1HRH1
SCHEMBL3974636 0.63 ADORA3 (0.47) CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7265125-B2 Neuropeptide Y antagonists HOFFMANN-LA ROCHE INC. (US) 2007-09-04 US disclosed
US-20050176698-A1 Neuropeptide Y antagonists BREU VOLKER (DE) 2005-08-11 US disclosed
US-6900226-B2 Neuropeptide Y antagonists HOFFMAN-LA ROCHE INC. (US) 2005-05-31 US disclosed
EP-1318981-A2 QUINOLINE AND QUINAZOLINE DERIVATIVES AS LIGANDS FOR THE NEUROPEPTIDE Y RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2003-06-18 EP disclosed
US-20020052356-A1 Neuropeptide Y antagonists F.HOFFMANN-LA ROCHE AG (CH) 2002-05-02 US disclosed
WO-2002020488-A2 QUINOLINE AND QUINAZOLINE DERIVATIVES AS LIGANDS FOR THE NEUROPEPTIDE Y RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2002-03-14 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 (2 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-20050176698-A1 Neuropeptide Y antagonists NPY5R, NPY4R, NPY2R MPO 2731/4885TLR8 1718/4885PDE10A 1484/4885
US-20020052356-A1 Neuropeptide Y antagonists NPY5R, NPY4R, NPY2R MPO 2731/4885TLR8 1718/4885PDE10A 1484/4885

“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.