SCHEMBL4486915

SCHEMBL4486915

C#Cc1ncc(-c2ccc(Cl)cc2)cc1N

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.47
MAP4K4 O95819 15/20 0.46
CYP1A2 P05177 1/20 0.43
KCNH2 Q12809 1/20 0.43
MINK1 Q8N4C8 1/20 0.43
TNIK Q9UKE5 1/20 0.43
LTA4H P09960 1/20 0.41
CLK1 P49759 1/20 0.39

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
SCHEMBL4481669 0.83 AHR (0.44) MAP4K4CYP1A2KCNH2MINK1TNIK
SCHEMBL4482838 0.80 MAP4K4 (0.40) MAP4K4CYP1A2KCNH2MINK1TNIK
SCHEMBL2324233 0.80 CHRM1 (0.42) MAP4K4CYP1A2KCNH2MINK1TNIK
SCHEMBL4476435 0.80 MAP4K4 (0.40) MAP4K4CYP1A2KCNH2MINK1TNIK
SCHEMBL4480451 0.78 PIK3CD (0.43) PIK3CDMAP4K4CYP1A2KCNH2MINK1
SCHEMBL2976390 0.77 MAP4K4 (0.62) PIK3CDMAP4K4CYP1A2KCNH2MINK1
SCHEMBL10017415 0.77 MAP4K4 (0.54) MAP4K4CYP1A2KCNH2MINK1TNIK
SCHEMBL4493973 0.76 MAP4K4 (0.37) MAP4K4CYP1A2KCNH2MINK1TNIK
SCHEMBL2324810 0.74 PIK3CD (0.51) PIK3CDMAP4K4CYP1A2KCNH2MINK1
SCHEMBL2322615 0.69 LTA4H (0.43) MAP4K4CYP1A2KCNH2MINK1TNIK

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 PIK3CD 4199/4885MAP4K4 2864/4885CYP1A2 3196/4885

“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.