SCHEMBL13319035

SCHEMBL13319035

CCOC(=O)N1CCC(Nc2ncccc2N)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 5/20 0.67
NOS1 P29475 4/20 0.59
NOS3 P29474 2/20 0.58
ALDH1A1 P00352 4/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
MAP4K4 O95819 1/20 0.53
CDK1 P06493 3/20 0.53
CDK4 P11802 3/20 0.53
CCND1 P24385 3/20 0.53
CDK2 P24941 3/20 0.53
KDM4E B2RXH2 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HSD17B10 Q99714 2/20 0.52
LMNA P02545 1/20 0.51
MAPT P10636 2/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL13319027 0.86 NOS2 (0.67) NOS2NOS1NOS3ALDH1A1MEN1
SCHEMBL2248990 0.85 ALDH1A1 (0.54) NOS2ALDH1A1L3MBTL1CDK2MAPT
SCHEMBL30594359 0.85 ALDH1A1 (0.54) NOS2ALDH1A1L3MBTL1CDK2MAPT
SCHEMBL6580282 0.83 JAK2 (0.52) NOS2NOS1NOS3
SCHEMBL13506830 0.82 NOS2 (0.62) NOS2NOS1NOS3ALDH1A1MEN1
SCHEMBL3776029 0.81 NOS2 (0.74) NOS2NOS1NOS3ALDH1A1MEN1
SCHEMBL5879617 0.81 NOS2 (1.00) NOS2NOS1NOS3ALDH1A1MEN1
SCHEMBL4918724 0.81 NOS2 (0.62) NOS2NOS1NOS3ALDH1A1MEN1
SCHEMBL13865492 0.80 NOS2 (0.65) NOS2NOS1NOS3ALDH1A1MEN1
SCHEMBL3054430 0.79 NOS2 (0.67) NOS2NOS1NOS3ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012146667-A1 IMIDAZOPYRIDINE DERIVATIVES AS PI3K INHIBITORS ALMIRALL, S.A. (ES) 2012-11-01 WO disclosed
EP-2518071-A1 Imidazopyridine derivatives as PI3K inhibitors Almirall, S.A. (ES) 2012-10-31 EP disclosed
US-20100144591-A1 BENZIMIDAZOLE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION 2010-06-10 US disclosed
US-7531660-B2 1-[[1-[(2-amino-6-methyl-4-pyridinyl)methyl]-4-fluoro-4-piperidinyl]carbonyl]-4-[2-(2-pyridinyl)-3H-imidazo[4,5-B]pyridin-3-YL]piperidine and methods of use thereof SCHERING CORPORATION (US) 2009-05-12 US disclosed
US-7531660-B2 1-[[1-[(2-amino-6-methyl-4-pyridinyl)methyl]-4-fluoro-4-piperidinyl]carbonyl]-4-[2-(2-pyridinyl)-3H-imidazo[4,5-B]pyridin-3-YL]piperidine and methods of use thereof SCHERING CORPORATION (US) 2009-05-12 US disclosed
WO-2008108958-A2 BENZIMIDAZOLE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2008-09-12 WO disclosed
EP-1499316-B1 (1-4-PIPERIDINYL)BENZIMIDAZOLE DERIVATIVES USEFUL AS HISTAMINE H3 ANTAGONISTS SCHERING CORP (US) 2008-03-19 EP disclosed
US-20080058370-A1 1-[[1-[(2-Amino-6-methyl-4-pyridinyl)methyl]-4-fluoro-4-piperidinyl]carbonyl]-4-[2-(2-pyridinyl)-3H-imidazo[4,5-b]pyridin-3-yl]piperidine and Methods of Use Thereof SCHERING CORPORATION 2008-03-06 US disclosed
US-20080058370-A1 1-[[1-[(2-Amino-6-methyl-4-pyridinyl)methyl]-4-fluoro-4-piperidinyl]carbonyl]-4-[2-(2-pyridinyl)-3H-imidazo[4,5-b]pyridin-3-yl]piperidine and Methods of Use Thereof SCHERING CORPORATION 2008-03-06 US disclosed
US-7332604-B2 1-[[1-[(2-Amino-6-methyl-4-pyridinyl)methyl]-4-fluoro-4-piperidinyl]carbonyl]-4-[2-(2-pyridinyl)-3H-imidazo[4,5-b]pyridin-3-yl]piperidine SCHERING CORPORATION (US) 2008-02-19 US disclosed
US-7332604-B2 1-[[1-[(2-Amino-6-methyl-4-pyridinyl)methyl]-4-fluoro-4-piperidinyl]carbonyl]-4-[2-(2-pyridinyl)-3H-imidazo[4,5-b]pyridin-3-yl]piperidine SCHERING CORPORATION (US) 2008-02-19 US disclosed
WO-2007035703-A1 1- [ [1- [ (2-AMIN0-6-METHYL-4-PYRIDINYL) METHYL] -4-FLU0R0-4-PIPERIDINYL,] CARBONYL] -4- [2- (2-PYRIDINYL) -3H-IMIDAZ0 [4 , 5-B] PYRIDIN-3-YL] PIPERIDINE USEFUL AS HISTAMINE H3 ANTAGONIST SCHERING CORPORATION (US) 2007-03-29 WO disclosed
US-20070066644-A1 1-[[1-[(2-Amino-6-methyl-4-pyridinyl)methyl]-4-fluoro-4-piperidinyl]carbonyl]-4-[2-(2-pyridinyl)-3H-imidazo[4,5-b]pyridin-3-yl]piperidine SCHERING CORPORATION 2007-03-22 US disclosed
US-20070066644-A1 1-[[1-[(2-Amino-6-methyl-4-pyridinyl)methyl]-4-fluoro-4-piperidinyl]carbonyl]-4-[2-(2-pyridinyl)-3H-imidazo[4,5-b]pyridin-3-yl]piperidine SCHERING CORPORATION 2007-03-22 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 (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-20070066644-A1 1-[[1-[(2-Amino-6-methyl-4-pyridinyl)methyl]-4-fluoro-4-piperidinyl]carbonyl]-4-[2-(2-pyridinyl)-3H-imidazo[4,5-b]pyridin-3-yl]piperidine FABP1, GPR119, FABP4 NOS2 758/4885NOS1 415/4885NOS3 531/4885
US-20100144591-A1 BENZIMIDAZOLE DERIVATIVES AND METHODS OF USE THEREOF GPR119, GK, GCK NOS2 900/4885NOS1 1694/4885NOS3 1150/4885
US-20080058370-A1 1-[[1-[(2-Amino-6-methyl-4-pyridinyl)methyl]-4-fluoro-4-piperidinyl]carbonyl]-4-[2-(2-pyridinyl)-3H-imidazo[4,5-b]pyridin-3-yl]piperidine and Methods of Use Thereof FABP1, LIPC, GPR119 NOS2 927/4885NOS1 605/4885NOS3 615/4885

“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.