SCHEMBL4490469

SCHEMBL4490469

NCc1cc(-c2ccc(Cl)cc2)cnc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 10/20 0.43
NOTUM Q6P988 2/20 0.41
CCR5 P51681 1/20 0.40
CYP1A2 P05177 1/20 0.40
KCNH2 Q12809 1/20 0.40
MINK1 Q8N4C8 1/20 0.40
TNIK Q9UKE5 1/20 0.40
LTA4H P09960 1/20 0.38
MAOB P27338 1/20 0.37
EGLN1 Q9GZT9 2/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CLK1 P49759 1/20 0.36
EGLN3 Q9H6Z9 1/20 0.36

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
SCHEMBL2324810 0.77 PIK3CD (0.51) MAP4K4CYP1A2KCNH2MINK1TNIK
SCHEMBL4476412 0.77 AHR (0.48) MAP4K4CYP1A2KCNH2MINK1TNIK
SCHEMBL4477476 0.77 MAP4K4 (0.45) MAP4K4CYP1A2KCNH2MINK1TNIK
SCHEMBL4476435 0.76 MAP4K4 (0.40) MAP4K4NOTUMCYP1A2KCNH2MINK1
SCHEMBL1346652 0.74 MAP4K4 (0.58) MAP4K4CYP1A2KCNH2MINK1TNIK
SCHEMBL2323282 0.74 MAP4K4 (0.42) MAP4K4CYP1A2KCNH2MINK1TNIK
SCHEMBL4493198 0.72 MAP4K4 (0.37) MAP4K4NOTUMCYP1A2KCNH2MINK1
SCHEMBL5199400 0.70 NPC1 (0.41) MAP4K4CYP1A2KCNH2MINK1TNIK
SCHEMBL4485368 0.70 MAP4K4 (0.40) MAP4K4CCR5CYP1A2KCNH2MINK1
SCHEMBL28826036 0.68 TAAR1 (0.43) MAP4K4NOTUMCYP1A2MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592358-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
EP-1737823-A2 NOVEL ALKYNE COMPOUNDS WITH AN MCH-ANTAGONISTIC ACTION AND MEDICAMENTS COMPRISING SAID COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2007-01-03 EP disclosed
WO-2005103002-A2 NOVEL ALKYNE COMPOUNDS WITH AN MCH-ANTAGONISTIC ACTION AND MEDICAMENTS COMPRISING SAID COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 WO disclosed
US-20050234101-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-20 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 (1 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-20050234101-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 MAP4K4 2864/4885NOTUM 2244/4885CCR5 774/4885

“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.