SCHEMBL5406793

SCHEMBL5406793

Cc1nc(N2CCCC2)c2ccc(-c3cccc(C(F)(F)F)c3)cc2n1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
HPGD P15428 1/20 0.54
ATM Q13315 1/20 0.54
NPY5R Q15761 11/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
GABBR2 O75899 1/20 0.46
GABBR1 Q9UBS5 1/20 0.46
TLR7 Q9NYK1 1/20 0.44
CNR1 P21554 2/20 0.44
CNR2 P34972 2/20 0.44
HRH4 Q9H3N8 1/20 0.44
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GBA1 P04062 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
SCHEMBL5409197 0.99 NPY5R (0.54) KDM4EHPGDATMNPY5RMEN1
SCHEMBL5401091 0.99 NPY5R (0.54) KDM4EHPGDATMNPY5RMEN1
SCHEMBL5419215 0.89 NPY5R (0.61) NPY5RMEN1KMT2AGABBR2GABBR1
SCHEMBL5420549 0.83 MEN1 (0.48) NPY5RMEN1KMT2AHRH4
SCHEMBL5404396 0.82 MEN1 (0.54) NPY5RMEN1KMT2AHRH4
SCHEMBL5402069 0.82 MEN1 (0.54) NPY5RMEN1KMT2AHRH4
SCHEMBL5406200 0.82 MEN1 (0.54) NPY5RMEN1KMT2AHRH4
SCHEMBL5406191 0.81 NCF1 (0.54) KDM4EHPGDATMNPY5RMEN1
SCHEMBL5395227 0.81 MEN1 (0.56) NPY5RMEN1KMT2AHRH4
SCHEMBL7138846 0.81 KDM4E (0.53) KDM4EHPGDATMNPY5RMEN1

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 11 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 claimed
US-20050176698-A1 Neuropeptide Y antagonists BREU VOLKER (DE) 2005-08-11 US claimed
EP-1318981-A2 QUINOLINE AND QUINAZOLINE DERIVATIVES AS LIGANDS FOR THE NEUROPEPTIDE Y RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2003-06-18 EP claimed
US-20020052356-A1 Neuropeptide Y antagonists F.HOFFMANN-LA ROCHE AG (CH) 2002-05-02 US claimed
WO-2002020488-A2 QUINOLINE AND QUINAZOLINE DERIVATIVES AS LIGANDS FOR THE NEUROPEPTIDE Y RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2002-03-14 WO claimed
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 KDM4E 1426/4885HPGD 2726/4885ATM 4611/4885
US-20020052356-A1 Neuropeptide Y antagonists NPY5R, NPY4R, NPY2R KDM4E 1426/4885HPGD 2726/4885ATM 4611/4885

“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.