SCHEMBL4047440

SCHEMBL4047440

CN1CCN(c2nccc(Oc3cccc4cc(C(=O)O)n(C)c34)n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 1/20 0.39
MAP2K1 Q02750 1/20 0.39
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38
ACHE P22303 4/20 0.38
PTK2 Q05397 2/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
MAPK14 Q16539 2/20 0.37
MCL1 Q07820 2/20 0.36
MET P08581 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL5119462 0.91 MAPK14 (0.39) ACHEPTK2MAPK14MCL1ALDH1A1
SCHEMBL5125191 0.91 ACHE (0.43) ACHEMAPK14ALDH1A1NPSR1HSD17B10
SCHEMBL5114170 0.90 ACHE (0.36) ACHEMAPK14MCL1ALDH1A1HSD17B10
SCHEMBL5111728 0.87 ALDH1A1 (0.38) PTK2MAPK14ALDH1A1NPSR1HSD17B10
SCHEMBL5685205 0.86 MAPK14 (0.38) PTK2MAPK14ALDH1A1NPSR1HSD17B10
SCHEMBL5125257 0.86 SMN1; SMN2 (0.41) CA12CA1CA2CA9MCL1
SCHEMBL5118560 0.84 DYRK1A (0.40) ALDH1A1
SCHEMBL5124540 0.83 CHRM5 (0.36) MAP3K7MAP2K1PTK2MCL1ALDH1A1
SCHEMBL5110189 0.83 RECQL (0.37) MAP3K7MAP2K1PTK2MCL1ALDH1A1
SCHEMBL4047150 0.82 HTR3A (0.41) MAP3K7MCL1ALDH1A1HSD17B10

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7335657-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-26 US claimed
EP-1867646-A1 Cytokine inhibitors Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2007-12-19 EP claimed
US-7285545-B2 N-Pyridyl-7-substituted-2-indolecarboxamides, e.g., 1-Methyl-7-[2-(4-methyl-piperazin-1-yl)-pyrimidin-4-yloxy]-1H-indole-2-carboxylic acid (2-tert-butyl-5-methoxy-pyridin-4-yl)-amide; used to treat chronic inflammatory diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-10-23 US claimed
EP-1745036-A2 CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2007-01-24 EP claimed
EP-1631567-A2 HETEROCYCLIC N-ARYL CARBOXAMIDES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-03-08 EP claimed
WO-2005108387-A2 CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-11-17 WO claimed
US-20050245536-A1 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-11-03 US claimed
WO-2005016918-A2 HETEROCYCLIC N-ARYL CARBOXAMIDES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-02-24 WO claimed
US-7592332-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-09-22 US disclosed
US-20090023701-A1 Cytokine Inhibitors AUNGST RONALD A 2009-01-22 US disclosed
US-7335657-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-26 US disclosed
EP-1867646-A1 Cytokine inhibitors Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2007-12-19 EP disclosed
US-20070275946-A1 Cytokine Inhibitors AUNGST RONALD A 2007-11-29 US disclosed
US-7285545-B2 N-Pyridyl-7-substituted-2-indolecarboxamides, e.g., 1-Methyl-7-[2-(4-methyl-piperazin-1-yl)-pyrimidin-4-yloxy]-1H-indole-2-carboxylic acid (2-tert-butyl-5-methoxy-pyridin-4-yl)-amide; used to treat chronic inflammatory diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-10-23 US disclosed
US-7078419-B2 N-aryl-7-(pyridin-4yl-methyl-, oxy-, thio-or amino-)indole-2-carbonamide derivatives, e.g., 7-(2,6-Dimethyl-pyridin-4-yloxy)-1H-indole-2-carboxylic acid (5-tert-butyl-3-methanesulfonylamino-2-methoxy-phenyl)-amide; treating chronic inflammatory diseases and anticoagulant or fibrinolytic therapy BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-07-18 US disclosed
EP-1631567-A2 HETEROCYCLIC N-ARYL CARBOXAMIDES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-03-08 EP disclosed
WO-2005108387-A2 CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-11-17 WO disclosed
US-20050245536-A1 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-11-03 US disclosed
WO-2005016918-A2 HETEROCYCLIC N-ARYL CARBOXAMIDES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-02-24 WO disclosed
US-20040186114-A1 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-09-23 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 (4 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-20040186114-A1 Cytokine inhibitors IL1A, IL1B, IL1R1 MAP3K7 1988/4885MAP2K1 4207/4885JAK2 32/4885
US-20090023701-A1 Cytokine Inhibitors IL1B, TNF, IL1A MAP3K7 485/4885MAP2K1 3576/4885JAK2 103/4885
US-20050245536-A1 Cytokine inhibitors IL1B, TNF, IL1A MAP3K7 485/4885MAP2K1 3576/4885JAK2 103/4885
US-20070275946-A1 Cytokine Inhibitors IL1B, TNF, IL1A MAP3K7 485/4885MAP2K1 3576/4885JAK2 103/4885

“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.