SCHEMBL4528209

SCHEMBL4528209

Nc1cc(Br)cnc1NCCN1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ACHE P22303 2/20 0.40
MAP4K4 O95819 1/20 0.39
KAT2B Q92831 2/20 0.39
IKBKB O14920 1/20 0.39
CHUK O15111 1/20 0.39
PHF13 Q86YI8 1/20 0.39
L3MBTL3 Q96JM7 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PIM1 P11309 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TOP2A P11388 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
KMT5A Q9NQR1 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL18172301 0.89 PIM1 (0.44) MEN1KMT2AACHEPIM1NPC1
SCHEMBL20061673 0.87 IRAK1 (0.42) MEN1KMT2AMAP4K4KAT2BIKBKB
SCHEMBL2323316 0.84 ACHE (0.50) MEN1KMT2AACHEKAT2BIKBKB
SCHEMBL12764762 0.82 MEN1 (0.40) MEN1KMT2AACHEKAT2BIKBKB
SCHEMBL1633328 0.81 CYP1A2 (0.42) MEN1KMT2AACHEKAT2BIKBKB
SCHEMBL2322744 0.79 PIK3CA (0.46) MEN1KMT2AKAT2BPHF13L3MBTL3
SCHEMBL7885980 0.76 MAPT (0.45) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL10082490 0.76 PIK3CA (0.44) MEN1KMT2AKAT2BKDM4EALDH1A1
SCHEMBL27888233 0.75 HRH3 (0.45) KMT5AHRH3
SCHEMBL4060108 0.75 TOP2A (0.43) MEN1KMT2AACHEMAP4K4KAT2B

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8618132-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2013-12-31 US disclosed
EP-1558578-B1 NOVEL ALKYNE COMPOUNDS HAVING AN MCH ANTAGONISTIC EFFECT AND MEDICAMENTS CONTAINING THESE COMPOUNDS BOEHRINGER INGELHEIM PHARMA (DE) 2013-03-13 EP disclosed
US-20090069282-A1 ALKYNE COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-03-12 US disclosed
US-7452911-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-11-18 US disclosed
US-20040209865-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-10-21 US 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-20090069282-A1 ALKYNE COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS MCHR1, MCHR2, GPR119 MEN1 1049/4885KMT2A 1110/4885ACHE 1796/4885
US-20040209865-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, MCHR2, NPY1R MEN1 1190/4885KMT2A 1095/4885ACHE 1925/4885

“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.