SCHEMBL409977

SCHEMBL409977

CCNC(=O)c1ccc2nc(-c3cccc(C)n3)c(-c3ccnc(N)n3)n2c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 2/20 0.45
AKT1 P31749 1/20 0.45
AKT2 P31751 1/20 0.45
PIK3CD O00329 1/20 0.44
PIK3R1 P27986 1/20 0.44
IGF1R P08069 1/20 0.42
CDK4 P11802 1/20 0.41
CDK2 P24941 1/20 0.41
TGFBR1 P36897 9/20 0.40
HDAC1 Q13547 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SLC2A1 P11166 1/20 0.38
BRD4 O60885 1/20 0.38
BRD2 P25440 1/20 0.38
BRD3 Q15059 1/20 0.38
BRDT Q58F21 1/20 0.38

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
SCHEMBL411998 0.90 MAP3K14 (0.47) MAP3K14AKT1AKT2PIK3CDPIK3R1
SCHEMBL413617 0.90 TGFBR1 (0.50) MAP3K14AKT1AKT2PIK3CDPIK3R1
SCHEMBL407985 0.89 TGFBR1 (0.46) MAP3K14PIK3CDPIK3R1IGF1RCDK4
SCHEMBL412682 0.88 MAP3K14 (0.46) MAP3K14PIK3CDPIK3R1IGF1RCDK4
SCHEMBL27615221 0.88 MAP3K14 (0.41) MAP3K14AKT1AKT2PIK3CDPIK3R1
SCHEMBL409368 0.88 TGFBR1 (0.42) MAP3K14AKT1AKT2PIK3CDPIK3R1
SCHEMBL413066 0.87 MAP3K14 (0.45) MAP3K14PIK3CDPIK3R1IGF1RCDK4
Hydroxyamine SCHEMBL5265983 0.87 MAP3K14 (0.50) MAP3K14AKT1AKT2PIK3CDPIK3R1
SCHEMBL415146 0.87 MAP3K14 (0.50) MAP3K14PIK3CDPIK3R1IGF1RCDK4
SCHEMBL412000 0.87 MAP3K14 (0.50) MAP3K14AKT1AKT2PIK3CDPIK3R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 555/4885AKT1 1925/4885AKT2 2238/4885

“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.