SCHEMBL440992

SCHEMBL440992

Cc1cccc(-c2nn3c(c2-c2ccc4ncn(CCN5CCCCCC5)c(=O)c4c2)CCC3)n1

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 18/20 0.72
TGFBR2 P37173 6/20 0.66
MAP3K20 Q9NYL2 5/20 0.66
CYP2D6 P10635 1/20 0.59
THRB P10828 7/20 0.55
MAPK14 Q16539 3/20 0.53

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
SCHEMBL410956 1.00 TGFBR1 (0.72) TGFBR1TGFBR2MAP3K20CYP2D6THRB
SCHEMBL413352 0.99 TGFBR1 (0.71) TGFBR1TGFBR2MAP3K20CYP2D6THRB
SCHEMBL412629 0.94 TGFBR1 (0.74) TGFBR1TGFBR2MAP3K20CYP2D6THRB
SCHEMBL411955 0.91 TGFBR1 (0.65) TGFBR1TGFBR2MAP3K20CYP2D6THRB
SCHEMBL438229 0.90 TGFBR1 (0.72) TGFBR1TGFBR2MAP3K20CYP2D6THRB
SCHEMBL413540 0.87 TGFBR1 (0.77) TGFBR1TGFBR2MAP3K20CYP2D6THRB
SCHEMBL373689 0.84 TGFBR1 (1.00) TGFBR1TGFBR2MAP3K20CYP2D6THRB
SCHEMBL373782 0.83 TGFBR1 (1.00) TGFBR1TGFBR2MAP3K20CYP2D6THRB
SCHEMBL14189201 0.80 TGFBR1 (0.69) TGFBR1TGFBR2MAP3K20CYP2D6THRB
SCHEMBL373472 0.79 TGFBR1 (1.00) TGFBR1TGFBR2MAP3K20CYP2D6THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160115447-A1 COMPOSITIONS AND METHODS FOR IMPROVING INDUCED NEURON GENERATION HOWARD HUGHES MEDICAL INSTITUTE 2016-04-28 US disclosed
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
US-7368445-B2 Fused pyrazole derivatives as TGF-β signal transduction inhibitors for the treatment of fibrosis and neoplasms ELI LILLY AND COMPANY (US) 2008-05-06 US disclosed
US-7368445-B2 Fused pyrazole derivatives as TGF-β signal transduction inhibitors for the treatment of fibrosis and neoplasms ELI LILLY AND COMPANY (US) 2008-05-06 US disclosed
US-7368445-B2 Fused pyrazole derivatives as TGF-β signal transduction inhibitors for the treatment of fibrosis and neoplasms ELI LILLY AND COMPANY (US) 2008-05-06 US disclosed
US-20070155722-A1 Fused pyrazole derivatives as tgf-beta signal transduction inhibitors for the treatment of fibrosis and neoplasms ELI LILLY AND COMPANY (US) 2007-07-05 US disclosed
US-20070155722-A1 Fused pyrazole derivatives as tgf-beta signal transduction inhibitors for the treatment of fibrosis and neoplasms ELI LILLY AND COMPANY (US) 2007-07-05 US disclosed
US-20070155722-A1 Fused pyrazole derivatives as tgf-beta signal transduction inhibitors for the treatment of fibrosis and neoplasms ELI LILLY AND COMPANY (US) 2007-07-05 US disclosed
EP-1723146-A1 FUSED PYRAZOLE DERIVATIVES AS TGF-BETA SIGNAL TRANSDUCTION INHIBITORS FOR THE TREATMENT OF FIBROSIS AND NEOPLASMS ELI LILLY AND COMPANY (US) 2006-11-22 EP disclosed
WO-2005092894-A1 FUSED PYRAZOLE DERIVATIVES AS TGF-BETA SIGNAL TRANSDUCTION INHIBITORS FOR THE TREATMENT OF FIBROSIS AND NEOPLASMS ELI LILLY AND COMPANY (US) 2005-10-06 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 (2 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-20070155722-A1 Fused pyrazole derivatives as tgf-beta signal transduction inhibitors for the treatment of fibrosis and neoplasms SMAD3, TGFBR1, TGFBR2 TGFBR1 2/4885TGFBR2 3/4885MAP3K20 77/4885
US-20160115447-A1 COMPOSITIONS AND METHODS FOR IMPROVING INDUCED NEURON GENERATION PLK1, GAP43, NEFM TGFBR1 2217/4885TGFBR2 1904/4885MAP3K20 106/4885

“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.