SCHEMBL5401967

SCHEMBL5401967

Cc1nc(N2CCCC2)c2ccc(-c3cccc([N+](=O)[O-])c3)cc2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPK1 P28482 1/20 0.52
ABCG2 Q9UNQ0 2/20 0.50
GBA1 P04062 1/20 0.46
CDC7 O00311 1/20 0.45
MAP4K4 O95819 1/20 0.45
PIM1 P11309 1/20 0.45
CDK2 P24941 1/20 0.45
GSK3B P49841 1/20 0.45
HIPK2 Q9H2X6 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.45
NPY5R Q15761 7/20 0.45
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
EGLN1 Q9GZT9 2/20 0.44
NPBWR1 P48145 1/20 0.43

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
SCHEMBL22911882 0.87 MEN1 (0.53) KMT2AMEN1ALDH1A1MAPK1ABCG2
SCHEMBL5402069 0.80 MEN1 (0.54) KMT2AMEN1NPY5REGLN1HRH4
SCHEMBL5406200 0.80 MEN1 (0.54) KMT2AMEN1NPY5REGLN1HRH4
SCHEMBL5404396 0.80 MEN1 (0.54) KMT2AMEN1ABCG2MAP4K4NPY5R
SCHEMBL5395227 0.79 MEN1 (0.56) KMT2AMEN1NPY5REGLN1HRH4
SCHEMBL5420536 0.79 MEN1 (0.56) KMT2AMEN1ABCG2MAP4K4NPY5R
SCHEMBL5404909 0.79 HRH4 (0.66) KMT2AMEN1NPY5RMAPTEGLN1
SCHEMBL7147827 0.78 MEN1 (0.49) KMT2AMEN1NPY5REGLN1HRH4
SCHEMBL5406793 0.77 KDM4E (0.54) KMT2AMEN1ALDH1A1MAPK1GBA1
SCHEMBL5412855 0.77 CYP1A2 (0.53) KMT2AMEN1ALDH1A1CLK4NPY5R

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 KMT2A 2473/4885MEN1 581/4885ALDH1A1 4857/4885
US-20020052356-A1 Neuropeptide Y antagonists NPY5R, NPY4R, NPY2R KMT2A 2473/4885MEN1 581/4885ALDH1A1 4857/4885

“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.