SCHEMBL2979435

SCHEMBL2979435

Clc1ccc(-c2cnc3[nH][c]nc3c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 6/20 0.39
KIT P10721 2/20 0.39
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
CCNT1 O60563 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CDK9 P50750 1/20 0.38
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
CYP1A2 P05177 3/20 0.36
TNIK Q9UKE5 2/20 0.36
KCNH2 Q12809 1/20 0.36
MINK1 Q8N4C8 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
SCHEMBL2980500 0.85 MAP3K11 (0.41) MAP4K4KITCCNT1CCNA2CDK2
SCHEMBL2982654 0.84 PDGFRB (0.43) PDGFRBPDGFRAGRIN1GRIN2B
SCHEMBL2975015 0.84 PDGFRB (0.41) MAP4K4KITCCNB2CDK1CCNB1
SCHEMBL2967253 0.84 RIPK1 (0.50) PDGFRBPDGFRAMEN1NPC1RAB9A
SCHEMBL2981890 0.84 NPC1 (0.38) MAP4K4CDK2CCNB2CDK1CCNB1
SCHEMBL2978668 0.84 CLK1 (0.43) KITCCNT1CCNA2CDK2CDK9
SCHEMBL2974783 0.83 CDK8 (0.47) MAP4K4CDK2CDK9CDK1PDGFRB
SCHEMBL2977491 0.80 RIPK1 (0.54) MAP4K4KITCCNB2CDK1CCNB1
SCHEMBL2981228 0.80 MAPK8 (0.45) CCNB2CDK1CCNB1CCNB3PDGFRB
SCHEMBL2979016 0.80 CA12 (0.43) MAP4K4CA12CA9CCNT1CCNA2

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 13 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
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
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 1048/4885KIT 1744/4885CA12 4542/4885
US-20100280002-A1 AMINOPYRIDINE-DERIVATIVES AS INDUCTIBLE NO-SYNTHASE INHIBITORS NOS2, NOS1, NOS3 MAP4K4 1048/4885KIT 1744/4885CA12 4542/4885
US-20080108652-A1 Imidazo (4,5-B) pyridine-derivatives as inducible no-synthase inhibitors NOS2, NOS1, NOS3 MAP4K4 706/4885KIT 1727/4885CA12 4604/4885
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 527/4885KIT 2501/4885CA12 4096/4885
US-20070010549-A1 Imidazo(4,5-b)pyridine-derivatives as inducible no-synthase inhibitors NOS2, NOS1, NOS3 MAP4K4 706/4885KIT 1727/4885CA12 4604/4885

“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.