SCHEMBL5420549

SCHEMBL5420549

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

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
PIM3 Q86V86 1/20 0.46
PIM2 Q9P1W9 1/20 0.46
NPY5R Q15761 10/20 0.44
USP30 Q70CQ3 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
SLC6A7 Q99884 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
GALR2 O43603 1/20 0.41
GALR1 P47211 1/20 0.41
MAP4K1 Q92918 1/20 0.41

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
SCHEMBL5406793 0.83 KDM4E (0.54) MEN1KMT2ANPY5RHRH4
SCHEMBL5402141 0.83 NCF1 (0.51) PIM3PIM2NPY5RUSP30HRH3
SCHEMBL5401091 0.82 NPY5R (0.54) MEN1KMT2ANPY5REGLN1
SCHEMBL5409197 0.82 NPY5R (0.54) MEN1KMT2ANPY5REGLN1
SCHEMBL5402069 0.79 MEN1 (0.54) MEN1KMT2ANPY5RHRH4EGLN1
SCHEMBL5406200 0.79 MEN1 (0.54) MEN1KMT2ANPY5RHRH3HRH4
SCHEMBL5419215 0.79 NPY5R (0.61) MEN1KMT2ANPY5RHRH4EGLN1
SCHEMBL5404396 0.79 MEN1 (0.54) MEN1KMT2ANPY5RHRH4EGLN1
SCHEMBL5395227 0.78 MEN1 (0.56) MEN1KMT2ANPY5RHRH4EGLN1
SCHEMBL5420536 0.78 MEN1 (0.56) MEN1KMT2ANPY5RHRH4EGLN1

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 MEN1 581/4885KMT2A 2473/4885PIM3 3717/4885
US-20020052356-A1 Neuropeptide Y antagonists NPY5R, NPY4R, NPY2R MEN1 581/4885KMT2A 2473/4885PIM3 3717/4885

“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.