SCHEMBL5403899

SCHEMBL5403899

Cc1nc(N2CCCCC2)c2ccc(Br)cc2n1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
HRH4 Q9H3N8 1/20 0.56
NPY5R Q15761 14/20 0.50
HSD17B10 Q99714 2/20 0.48
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GLA P06280 1/20 0.43
TSHR P16473 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
SCHEMBL5400137 1.00 MEN1 (0.62) MEN1KMT2AHRH4NPY5RHSD17B10
SCHEMBL5412125 0.98 MEN1 (0.60) MEN1KMT2AHRH4NPY5RHSD17B10
SCHEMBL5405062 0.95 HRH4 (0.57) MEN1KMT2AHRH4NPY5RHSD17B10
SCHEMBL5490225 0.81 MEN1 (0.60) MEN1KMT2AHRH4NPY5RHSD17B10
SCHEMBL5491482 0.81 MEN1 (0.60) MEN1KMT2ANPY5RHSD17B10MAPK1
SCHEMBL31663100 0.78 KMT2A (0.97) MEN1KMT2ANPY5RHSD17B10MAPK1
SCHEMBL22911938 0.78 MEN1 (0.57) MEN1KMT2ANPY5RHSD17B10MAPK1
SCHEMBL12324063 0.77 PRKDC (0.73) MEN1KMT2ANPY5RHSD17B10MAPK1
SCHEMBL5486950 0.77 HRH4 (0.44) MEN1KMT2AHRH4
SCHEMBL5486946 0.77 HRH4 (0.44) MEN1KMT2AHRH4

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 2473/4885HRH4 279/4885
US-20020052356-A1 Neuropeptide Y antagonists NPY5R, NPY4R, NPY2R MEN1 581/4885KMT2A 2473/4885HRH4 279/4885

“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.