SCHEMBL411283

SCHEMBL411283

Cc1cc(N2CCOCC2)c2nc(-c3cccc(C)n3)c(-c3ccnc(N)n3)n2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 2/20 0.41
CDK2 P24941 3/20 0.40
CDK1 P06493 2/20 0.40
NCF1 P14598 2/20 0.38
DHFR P00374 1/20 0.37
METAP1 P53582 1/20 0.37
CDK4 P11802 1/20 0.36
TGFBR1 P36897 2/20 0.36
CSNK1E P49674 1/20 0.36
BRD9 Q9H8M2 1/20 0.35
BAZ2B Q9UIF8 1/20 0.35
PIK3CD O00329 3/20 0.35
PIK3R1 P27986 2/20 0.35
KDR P35968 1/20 0.35
MTOR P42345 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
PIK3CA P42336 2/20 0.34
PIK3CB P42338 2/20 0.34

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
SCHEMBL415513 0.91 MTOR (0.38) CDK2CDK1NCF1METAP1TGFBR1
SCHEMBL412344 0.81 TGFBR1 (0.48) MAP3K14TGFBR1PIK3CDPIK3CAPIK3CB
SCHEMBL5792276 0.81 MAP3K14 (0.46) MAP3K14CDK2CDK4TGFBR1CSNK1E
SCHEMBL408940 0.80 TGFBR1 (0.44) CDK4TGFBR1PIK3CDPIK3CAPIK3CB
SCHEMBL414090 0.74 MAP3K14 (0.70) MAP3K14CDK2CDK4TGFBR1CSNK1E
SCHEMBL413310 0.73 TGFBR1 (0.48) TGFBR1PIK3CDPIK3CAPIK3CBHPGD
SCHEMBL415270 0.72 GSK3B (0.41) MAP3K14CDK2CDK4CSNK1EPIK3CD
SCHEMBL409784 0.72 CDK2 (0.50) MAP3K14CDK2CDK4TGFBR1CSNK1E
SCHEMBL413556 0.72 CDK2 (0.50) MAP3K14CDK2CDK4TGFBR1CSNK1E
SCHEMBL413262 0.71 GSK3A (0.44) MAP3K14CDK2CDK4TGFBR1CSNK1E

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 16 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
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
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 MAP3K14 555/4885CDK2 515/4885CDK1 1837/4885

“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.