SCHEMBL412816

SCHEMBL412816

COc1ccc(CNc2nccc(-c3c(-c4cccc(C)n4)nc4ccccn34)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.50
KDM4E B2RXH2 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
PKM P14618 1/20 0.48
HTT P42858 1/20 0.48
MAPK13 O15264 1/20 0.47
RAF1 P04049 1/20 0.47
MAPK9 P45984 1/20 0.47
MAPK12 P53778 1/20 0.47
MAPK11 Q15759 1/20 0.47
MAPK14 Q16539 1/20 0.47
DYRK1A Q13627 2/20 0.47
CLK4 Q9HAZ1 2/20 0.47
DYRK1B Q9Y463 2/20 0.47
CLK1 P49759 1/20 0.47
CLK2 P49760 1/20 0.47
CDK2 P24941 6/20 0.46
CDK4 P11802 3/20 0.46
CCNE1 P24864 3/20 0.46

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
SCHEMBL409738 0.89 HDAC1 (0.56) HDAC1CDK2CDK4CCNE1
SCHEMBL412332 0.84 DYRK3 (0.54) HDAC1MAPK9CLK4CLK2CDK2
SCHEMBL3360699 0.82 HDAC1 (0.54) HDAC1CDK2CDK4CCNE1CDK19
SCHEMBL412401 0.81 CDK2 (0.56) HDAC1KDM4ESMN1; SMN2LMNAHTT
SCHEMBL408673 0.81 HDAC1 (0.53) HDAC1CDK2CDK4CCNE1CDK19
SCHEMBL413670 0.80 CDK19 (0.49) HDAC1CDK2CDK4CCNE1CDK19
SCHEMBL414114 0.80 MAPK1 (0.53) HDAC1SMN1; SMN2HTTMAPK9CLK4
SCHEMBL415283 0.80 CDK2 (0.49) HDAC1MAPK9CLK4CLK2CDK2
SCHEMBL5819630 0.80 CDK2 (0.49) HDAC1MAPK9CLK4CDK2CDK4
SCHEMBL414098 0.80 CDK2 (0.48) HDAC1MAPK9CLK4DYRK1BCLK2

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
EP-1804801-A2 METHODS OF TREATING VASCULAR INJURIES Biogen Idec MA, Inc. (US) 2007-07-11 EP claimed
US-20060135517-A1 Imidazolopyridines and methods of making and using the same BIOGEN IDEC MA INC. 2006-06-22 US claimed
EP-1546112-A4 IMIDAZOLOPYRIDINES AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC INC (US) 2006-06-07 EP claimed
WO-2006044509-A2 METHODS OF TREATING VASCULAR INJURIES BIOGEN IDEC MA INC. (US) 2006-04-27 WO claimed
EP-1546112-A2 IMIDAZOLOPYRIDINES AND METHODS OF MAKING AND USING THE SAME Biogen Idec MA Inc. (US) 2005-06-29 EP claimed
WO-2004021989-A2 IMIDAZOLOPYRIDINES AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC MA INC. (US) 2004-03-18 WO claimed
US-20140120621-A1 TGF-BETA RECEPTOR INHIBITORS TO ENHANCE DIRECT REPROGRAMMING THE GENERAL HOSPITAL CORPORATION (US) 2014-05-01 US disclosed
US-8603818-B1 TGF-beta receptor inhibitors to enhance direct reprogramming THE GENERAL HOSPITAL CORPORATION (US) 2013-12-10 US disclosed
US-8298825-B1 TGF-beta receptor inhibitors to enhance direct reprogramming THE GENERAL HOSPITAL CORPORATION (US) 2012-10-30 US disclosed
US-20120021519-A1 EFFICIENT INDUCTION OF PLURIPOTENT STEM CELLS USING SMALL MOLECULE COMPOUNDS PRESIDENTS AND FELLOWS OF HARVARD COLLEGE (US) 2012-01-26 US disclosed
WO-2010033906-A2 EFFICIENT INDUCTION OF PLURIPOTENT STEM CELLS USING SMALL MOLECULE COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-03-25 WO disclosed
WO-2008013928-A2 TREATMENT OF CANCER WITH INTERFERON GENE DELIVERY IN COMBINATION WITH A TGF-BETA INHIBITOR BIOGEN IDEC MA INC. (US) 2008-01-31 WO disclosed
EP-1804801-A2 METHODS OF TREATING VASCULAR INJURIES Biogen Idec MA, Inc. (US) 2007-07-11 EP disclosed
US-20060135517-A1 Imidazolopyridines and methods of making and using the same BIOGEN IDEC MA INC. 2006-06-22 US disclosed
EP-1546112-A4 IMIDAZOLOPYRIDINES AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC INC (US) 2006-06-07 EP disclosed
WO-2006044509-A2 METHODS OF TREATING VASCULAR INJURIES BIOGEN IDEC MA INC. (US) 2006-04-27 WO disclosed
EP-1546112-A2 IMIDAZOLOPYRIDINES AND METHODS OF MAKING AND USING THE SAME Biogen Idec MA Inc. (US) 2005-06-29 EP disclosed
WO-2004021989-A2 IMIDAZOLOPYRIDINES AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC MA INC. (US) 2004-03-18 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 (1 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-20060135517-A1 Imidazolopyridines and methods of making and using the same ALK, ACVR1, ACVRL1 HDAC1 2272/4885KDM4E 52/4885SMN1; SMN2 1146/4885

“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.