SCHEMBL2967301

SCHEMBL2967301

FC(F)(F)c1cnc2[nH][c]nc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
POLB P06746 2/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 4/20 0.32
KDM4E B2RXH2 4/20 0.32
GAA P10253 2/20 0.32
RAB9A P51151 2/20 0.32
USP2 O75604 1/20 0.32
MAPT P10636 1/20 0.32
PLAU P00749 1/20 0.32
AGBL2 Q5U5Z8 1/20 0.32
PARP1 P09874 1/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
CCNB2 O95067 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31

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
SCHEMBL2979016 0.81 CA12 (0.43) ALDH1A1KDM4ECCNB2CDK1CCNB1
SCHEMBL2979359 0.72 DYRK1A (0.41) ALDH1A1PKMSMN1; SMN2KDM4EMAPT
SCHEMBL2975272 0.72 CYP1A2 (0.34)
SCHEMBL2983594 0.71 KCNH2 (0.32)
SCHEMBL28794878 0.70 PARP1 (0.47) ALDH1A1POLBPKMSMN1; SMN2KDM4E
SCHEMBL142611 0.69 PKM (0.41) PKMKDM4EPARP1MAPK1
SCHEMBL2971971 0.68 KCNH2 (0.32)
SCHEMBL16456509 0.68 CACNA1H (0.33) PKM
SCHEMBL2974430 0.67 PDE10A (0.36) ALDH1A1POLBSMN1; SMN2KDM4EGAA
SCHEMBL12335638 0.67 POLB (0.42) ALDH1A1POLBPKMSMN1; SMN2KDM4E

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 18 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
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
EP-1675853-B1 IMIDAZO(4,5-B)PYRIDINE-DERIVATIVES AS INDUCIBLE NO-SYNTHASE INHIBITORS NYCOMED GMBH (DE) 2008-06-18 EP disclosed
US-20080108652-A1 Imidazo (4,5-B) pyridine-derivatives as inducible no-synthase inhibitors ALTANA PHARMA AG 2008-05-08 US disclosed
US-7329677-B2 Imidazo(4,5-b)pyridine-derivatives as inducible no-synthase inhibitors ALTANA PHARMA AG (DE) 2008-02-12 US disclosed
EP-1490366-B1 ALKOXYPYRIDINE-DERIVATIVES NYCOMED GMBH (DE) 2008-01-23 EP 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
US-20070010549-A1 Imidazo(4,5-b)pyridine-derivatives as inducible no-synthase inhibitors ALTANA PHARMA AG (DE) 2007-01-11 US disclosed
US-7138399-B2 2-[2-(4-alkoxypyridin-2-yl)alkyl])-3H-imidazo[4,5-b]pyridine derivatives and 8-[2-(4-alkoxypyridin-2-yl)alkyl])-9H-purine derivatives; used to treat an acute inflammatory disease in which the activity of inducible NO-synthase is involved ALTANA PHARMA AG (DE) 2006-11-21 US disclosed
EP-1675853-A1 IMIDAZO(4,5-B)PYRIDINE-DERIVATIVES AS INDUCIBLE NO-SYNTHASE INHIBITORS ALTANA Pharma AG (DE) 2006-07-05 EP disclosed
EP-1670798-A1 AMINOPYRIDINE-DERIVATIVES AS INDUCTIBLE NO-SYNTHASE INHIBITORS Altana Pharma AG (DE) 2006-06-21 EP disclosed
US-20050171125-A1 2-[2-(4-alkoxypyridin-2-yl)alkyl])-3H-imidazo[4,5-b]pyridine derivatives and 8-[2-(4-alkoxypyridin-2-yl)alkyl])-9H-purine derivatives; used to treat an acute inflammatory disease in which the activity of inducible NO-synthase is involved ALTANA PHARMA AG (DE) 2005-08-04 US disclosed
WO-2005061496-A1 AMINOPYRIDINE-DERIVATIVES AS INDUCTIBLE NO-SYNTHASE INHIBITORS ALTANA PHARMA AG (DE) 2005-07-07 WO disclosed
WO-2005030768-A1 IMIDAZO(4,5-B)PYRIDINE-DERIVATIVES AS INDUCIBLE NO-SYNTHASE INHIBITORS ALTANA PHARMA AG (DE) 2005-04-07 WO disclosed
EP-1490366-A1 NOVEL ALKOXYPYRIDINE-DERIVATIVES ALTANA Pharma AG (DE) 2004-12-29 EP disclosed
WO-2003080607-A1 NOVEL ALKOXYPYRIDINE-DERIVATIVES ALTANA PHARMA AG (DE) 2003-10-02 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 (6 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 ALDH1A1 323/4885POLB 2537/4885PKM 1556/4885
US-20050171125-A1 2-[2-(4-alkoxypyridin-2-yl)alkyl])-3H-imidazo[4,5-b]pyridine derivatives and 8-[2-(4-alkoxypyridin-2-yl)alkyl])-9H-purine derivatives; used to treat an acute inflammatory disease in which the activity of inducible NO-synthase is involved NOS2, PNP, PTGIS ALDH1A1 650/4885POLB 1043/4885PKM 2545/4885
US-20100280002-A1 AMINOPYRIDINE-DERIVATIVES AS INDUCTIBLE NO-SYNTHASE INHIBITORS NOS2, NOS1, NOS3 ALDH1A1 323/4885POLB 2537/4885PKM 1556/4885
US-20080108652-A1 Imidazo (4,5-B) pyridine-derivatives as inducible no-synthase inhibitors NOS2, NOS1, NOS3 ALDH1A1 366/4885POLB 2418/4885PKM 2432/4885
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 ALDH1A1 990/4885POLB 3018/4885PKM 2566/4885
US-20070010549-A1 Imidazo(4,5-b)pyridine-derivatives as inducible no-synthase inhibitors NOS2, NOS1, NOS3 ALDH1A1 366/4885POLB 2418/4885PKM 2432/4885

“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.