SCHEMBL712179

SCHEMBL712179

Nc1cc(-c2cccnc2)cnc1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.58
CYP2A6 P11509 6/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CHEK2 O96017 1/20 0.55
MKNK1 Q9BUB5 2/20 0.55
MKNK2 Q9HBH9 2/20 0.55
MEN1 O00255 1/20 0.55
PSIP1 O75475 1/20 0.55
AXL P30530 1/20 0.55
AURKA O14965 1/20 0.53
TTK P33981 1/20 0.53
AURKB Q96GD4 1/20 0.53
INCENP Q9NQS7 1/20 0.53
DYRK1A Q13627 2/20 0.50
DYRK1B Q9Y463 2/20 0.50
PDGFRB P09619 2/20 0.49
PDGFRA P16234 2/20 0.49
EGFR P00533 1/20 0.49

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
SCHEMBL16835804 0.82 FYN (0.52) FYNCYP2A6ALDH1A1CYP1A2CYP3A4
SCHEMBL16835759 0.82 MAP4K4 (0.63) FYNCYP2A6ALDH1A1CYP1A2CYP3A4
SCHEMBL28107568 0.82 CYP2A6 (0.56) FYNCYP2A6ALDH1A1CYP1A2CYP3A4
SCHEMBL709795 0.80 MAPT (0.59) FYNALDH1A1CHEK2MKNK1MKNK2
SCHEMBL712180 0.79 PIK3CD (0.43) FYNCYP1A2MEN1AURKATTK
SCHEMBL1519413 0.79 AURKA (0.61) FYNALDH1A1CYP1A2CYP3A4CHEK2
SCHEMBL29953224 0.78 ERN1 (0.57) FYNCYP2A6ALDH1A1CYP1A2CYP3A4
SCHEMBL18615799 0.77 CHEK2 (0.65) FYNCHEK2MKNK1MKNK2CYP11B2
SCHEMBL77876 0.77 MKNK1 (0.63) CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1
Hydrochloric Acid SCHEMBL11240671 0.77 AURKA (0.59) FYNALDH1A1CYP1A2CYP3A4CHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940837-B1 IMIDAZOPYRIDINE COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2012-11-07 EP disclosed
US-8124617-B2 Imidazopyridine compounds TAKEDA SAN DIEGO, INC. (US) 2012-02-28 US disclosed
US-20100069431-A1 IMIDAZOPYRIDINE COMPOUNDS TAKEDA SAN DIEGO, INC. 2010-03-18 US disclosed
EP-1940837-A2 IMIDAZOPYRIDINE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2008-07-09 EP disclosed
EP-1490366-B1 ALKOXYPYRIDINE-DERIVATIVES NYCOMED GMBH (DE) 2008-01-23 EP disclosed
CN-1307176-C Novel alkoxypyridine derivatives ALTANA PHARMA AG (DE) 2007-03-28 CN disclosed
WO-2007028135-A2 IMIDAZOPYRIDINE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-08 WO 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
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
CN-1642955-A Novel alkoxypyridine derivatives ALTANA PHARMA AG (DE) 2005-07-20 CN 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 (2 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-20100069431-A1 IMIDAZOPYRIDINE COMPOUNDS GCK, GCKR, KHK FYN 3030/4885CYP2A6 712/4885ALDH1A1 832/4885
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 FYN 2536/4885CYP2A6 507/4885ALDH1A1 650/4885

“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.