SCHEMBL413262

SCHEMBL413262

Cc1cc(NCCc2ccccn2)c2nc(-c3cccc(C)n3)c(-c3ccnc(N)n3)n2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.44
GSK3B P49841 2/20 0.44
MAP3K14 Q99558 2/20 0.38
PIK3CD O00329 2/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
CDK4 P11802 1/20 0.36
CDK2 P24941 1/20 0.36
ACP1 P24666 1/20 0.35
CSNK1E P49674 1/20 0.35
APP P05067 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TGFBR1 P36897 3/20 0.33
KDR P35968 2/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL409144 0.92 GSK3A (0.44) GSK3AGSK3BPIK3CDPIK3CAPIK3CB
SCHEMBL415270 0.87 GSK3B (0.41) GSK3AGSK3BMAP3K14PIK3CDPIK3CA
SCHEMBL413465 0.85 GSK3A (0.44) GSK3AGSK3BMAP3K14PIK3CDPIK3CB
SCHEMBL412344 0.81 TGFBR1 (0.48) MAP3K14PIK3CDPIK3CAPIK3CBACP1
SCHEMBL408940 0.80 TGFBR1 (0.44) GSK3BPIK3CDPIK3CAPIK3CBCDK4
SCHEMBL415422 0.79 GSK3B (0.41) GSK3AGSK3BPIK3CDPIK3CAPIK3CB
SCHEMBL5792276 0.77 MAP3K14 (0.46) GSK3BMAP3K14PIK3CDCDK4CDK2
SCHEMBL412014 0.77 GSK3A (0.44) GSK3AGSK3BPIK3CDPIK3CAPIK3CB
SCHEMBL413310 0.73 TGFBR1 (0.48) PIK3CDPIK3CAPIK3CBACP1CYP3A4
SCHEMBL413474 0.72 CDK2 (0.47) GSK3AGSK3BCDK4CDK2KDR

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 17 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-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 GSK3A 1877/4885GSK3B 2345/4885MAP3K14 555/4885

“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.