SCHEMBL2976390

SCHEMBL2976390

Nc1cc(-c2ccc(Cl)cc2)cnc1N

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 15/20 0.62
CYP1A2 P05177 1/20 0.57
KCNH2 Q12809 1/20 0.57
MINK1 Q8N4C8 1/20 0.57
TNIK Q9UKE5 1/20 0.57
PIK3CD O00329 1/20 0.50
LTA4H P09960 1/20 0.47
CLK1 P49759 1/20 0.47
USP7 Q93009 1/20 0.46

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
SCHEMBL712180 0.82 PIK3CD (0.43) MAP4K4CYP1A2KCNH2MINK1TNIK
SCHEMBL28030764 0.82 MAP4K4 (0.87) MAP4K4CYP1A2KCNH2MINK1TNIK
SCHEMBL2324810 0.81 PIK3CD (0.51) MAP4K4CYP1A2KCNH2MINK1TNIK
SCHEMBL313209 0.81 MAP4K4 (0.58) MAP4K4CYP1A2KCNH2MINK1TNIK
SCHEMBL5033890 0.81 AHR (0.52) MAP4K4CYP1A2KCNH2MINK1TNIK
SCHEMBL18263118 0.81 MAP4K4 (0.58) MAP4K4CYP1A2KCNH2MINK1TNIK
SCHEMBL1346652 0.81 MAP4K4 (0.58) MAP4K4CYP1A2KCNH2MINK1TNIK
SCHEMBL10017414 0.81 MAP4K4 (0.58) MAP4K4CYP1A2KCNH2MINK1TNIK
SCHEMBL2967597 0.80 LRRK2 (0.55) MAP4K4CLK1USP7
SCHEMBL1582343 0.80 MAP4K4 (0.54) MAP4K4PIK3CDUSP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100280002-A1 AMINOPYRIDINE-DERIVATIVES AS INDUCTIBLE NO-SYNTHASE INHIBITORS ALTANA PHARMA AG (DE) 2010-11-04 US disclosed
US-7781453-B2 Aminopyridine-derivatives ALTANA PHARMA AG (DE) 2010-08-24 US disclosed
CN-100415746-C Aminopyridine derivatives as inducible NO-synthase inhibitors ALTANA PHARMA AG (DE) 2008-09-03 CN disclosed
US-20080176894-A1 Used as nitric oxide synthase inhibitors; treating acute inflammatory disease with such as 2-[2-(2-amino-4-methylpyridin-6-yl)ethyl]-3H-imidazo[4,5-b]pyridine ALTANA PHARMA AG 2008-07-24 US disclosed
US-7317021-B2 Aminopyridine-derivatives as inductible no-synthase inhibitors ALTANA PHARMA AG (DE) 2008-01-08 US disclosed
US-20070043072-A1 Aminopyridine-derivatives as inductible no-synthase inhibitors ALTANA PHARMA AG (DE) 2007-02-22 US disclosed
CN-1856493-A Aminopyridine derivatives as inducible NO-synthase inhibitors ALTANA PHARMA AG (DE) 2006-11-01 CN disclosed
EP-1670798-A1 AMINOPYRIDINE-DERIVATIVES AS INDUCTIBLE NO-SYNTHASE INHIBITORS Altana Pharma AG (DE) 2006-06-21 EP disclosed
WO-2005061496-A1 AMINOPYRIDINE-DERIVATIVES AS INDUCTIBLE NO-SYNTHASE INHIBITORS ALTANA PHARMA AG (DE) 2005-07-07 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 (3 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-20070043072-A1 Aminopyridine-derivatives as inductible no-synthase inhibitors NOS2, NOS1, NOS3 MAP4K4 1048/4885CYP1A2 29/4885KCNH2 1180/4885
US-20100280002-A1 AMINOPYRIDINE-DERIVATIVES AS INDUCTIBLE NO-SYNTHASE INHIBITORS NOS2, NOS1, NOS3 MAP4K4 1048/4885CYP1A2 29/4885KCNH2 1180/4885
US-20080176894-A1 Used as nitric oxide synthase inhibitors; treating acute inflammatory disease with such as 2-[2-(2-amino-4-methylpyridin-6-yl)ethyl]-3H-imidazo[4,5-b]pyridine NOS2, NOS1, NOS3 MAP4K4 527/4885CYP1A2 81/4885KCNH2 2150/4885

“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.