SCHEMBL482224

SCHEMBL482224

CCOC(=N)c1ccc(-c2cnc3[nH]c(=O)n(CCN4CCOCC4)c3n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTOR P42345 17/20 0.52
MAP3K11 Q16584 3/20 0.52
PIK3CA P42336 3/20 0.49
RICTOR Q6R327 2/20 0.49
RPTOR Q8N122 2/20 0.49
MAPKAP1 Q9BPZ7 2/20 0.49
MLST8 Q9BVC4 2/20 0.49

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
Hydrochloric Acid SCHEMBL482102 0.91 MTOR (0.51) MTORMAP3K11PIK3CA
SCHEMBL482112 0.88 MTOR (0.68) MTORPIK3CARICTORRPTORMAPKAP1
SCHEMBL481880 0.86 MTOR (0.72) MTORPIK3CARICTORRPTORMAPKAP1
SCHEMBL481548 0.83 MTOR (0.63) MTORMAP3K11PIK3CARICTORRPTOR
SCHEMBL481612 0.83 MTOR (0.48) MTORMAP3K11PIK3CARICTORRPTOR
SCHEMBL482002 0.83 MTOR (0.70) MTORMAP3K11PIK3CARICTORRPTOR
Hydrochloric Acid SCHEMBL481519 0.82 MTOR (0.68) MTORMAP3K11PIK3CARICTORRPTOR
SCHEMBL481688 0.81 MAP3K11 (0.52) MTORMAP3K11PIK3CARICTORRPTOR
SCHEMBL481882 0.81 MTOR (0.55) MTORMAP3K11PIK3CARICTORRPTOR
Hydrochloric Acid SCHEMBL481472 0.79 MTOR (0.73) MTORPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2457913-B1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARM LLC (US) 2017-04-19 EP disclosed
EP-2090577-B1 Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors SIGNAL PHARM LLC (US) 2017-04-05 EP disclosed
US-8372976-B2 Methods of treatment comprising the administration of heteroaryl compounds SIGNAL PHARMACEUTICALS, LLC (US) 2013-02-12 US disclosed
EP-2457913-A2 Heteroaryl compounds, compositions thereof, and methods of treatment therewith Signal Pharmaceuticals LLC (US) 2012-05-30 EP disclosed
EP-2078016-B1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2012-02-01 EP disclosed
US-20110245245-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS SIGNAL PHARMACEUTICALS, LLC 2011-10-06 US disclosed
US-7981893-B2 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2011-07-19 US disclosed
EP-2090577-A2 Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors Signal Pharmaceuticals LLC (US) 2009-08-19 EP disclosed
EP-2078016-A2 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals LLC (US) 2009-07-15 EP disclosed
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2009-01-22 US disclosed
WO-2008051493-A2 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND THEIR USE AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2008-05-02 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-20110245245-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS JAK2, GLS2, NFKBIA MTOR 138/4885MAP3K11 44/4885PIK3CA 590/4885
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith JAK2, PHKG1, PHKG2 MTOR 73/4885MAP3K11 39/4885PIK3CA 221/4885

“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.