SCHEMBL5397682

SCHEMBL5397682

Cc1nc(N2CCCC2)c2ccc(-c3cccs3)cc2n1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 7/20 0.58
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GBA1 P04062 2/20 0.46
LMNA P02545 1/20 0.46
NLRP3 Q96P20 2/20 0.45
HRH4 Q9H3N8 2/20 0.44
KDM4E B2RXH2 2/20 0.44
POLB P06746 2/20 0.44
HPGD P15428 2/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.43
PAX8 Q06710 1/20 0.43
TDP1 Q9NUW8 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
SCHEMBL5405074 0.81 NCF1 (0.56) NPY5RMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL5412917 0.80 NCF1 (0.59) NPY5RMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL5405088 0.79 HRH4 (0.64) NPY5RMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL5419215 0.79 NPY5R (0.61) NPY5RMEN1KMT2AMAPK1HSD17B10
SCHEMBL5408413 0.77 MEN1 (0.46) NPY5RMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL5402069 0.77 MEN1 (0.54) NPY5RMEN1KMT2AHRH4
SCHEMBL5406200 0.77 MEN1 (0.54) NPY5RMEN1KMT2AHRH4
SCHEMBL5404396 0.77 MEN1 (0.54) NPY5RMEN1KMT2AHRH4
SCHEMBL5406793 0.76 KDM4E (0.54) NPY5RMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL5406183 0.76 MEN1 (0.53) NPY5RMEN1KMT2AALDH1A1MAPK1

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 NPY5R 1/4885MEN1 581/4885KMT2A 2473/4885
US-20020052356-A1 Neuropeptide Y antagonists NPY5R, NPY4R, NPY2R NPY5R 1/4885MEN1 581/4885KMT2A 2473/4885

“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.