SCHEMBL5420552

SCHEMBL5420552

CNC(=O)c1ccc(-c2ccc3c(N4CCCC4)cc(C)nc3c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 5/20 0.50
KCNH2 Q12809 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
CHEK1 O14757 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 2/20 0.41
EGLN1 Q9GZT9 2/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
GBA1 P04062 1/20 0.39
PLK1 P53350 1/20 0.39
CRBN Q96SW2 1/20 0.39

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
SCHEMBL5406740 0.87 NCF1 (0.53) NCF1MEN1KMT2AMAPTEGLN1
SCHEMBL5404498 0.86 NCF1 (0.55) NCF1MEN1KMT2AMAPTEGLN1
SCHEMBL5397608 0.82 SIRT2 (0.48) NCF1KCNH2HRH3MEN1KMT2A
SCHEMBL5412918 0.82 MEN1 (0.57) NCF1KCNH2MEN1KMT2AMAPT
SCHEMBL5397410 0.80 NCF1 (0.72) NCF1MEN1KMT2AMAPTEGLN1
SCHEMBL5518457 0.79 NCF1 (0.62) NCF1MEN1KMT2AMAPTADRB2
SCHEMBL5401181 0.79 NCF1 (0.74) NCF1MEN1KMT2AMAPTEGLN1
SCHEMBL5401115 0.79 NCF1 (0.54) NCF1MEN1KMT2AADRB2ADRB1
SCHEMBL27574129 0.79 NCF1 (0.52) NCF1MEN1KMT2AMAPTEGLN1
SCHEMBL5518709 0.78 NCF1 (0.57) NCF1MEN1KMT2AMAPTADRB2

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 NCF1 1230/4885KCNH2 2334/4885HRH3 527/4885
US-20020052356-A1 Neuropeptide Y antagonists NPY5R, NPY4R, NPY2R NCF1 1230/4885KCNH2 2334/4885HRH3 527/4885

“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.