SCHEMBL2212148

SCHEMBL2212148

O=c1[nH]c2nccnc2n1CC1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.57
PIK3CA P42336 4/20 0.54
GSK3A P49840 2/20 0.52

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
SCHEMBL29828983 0.86 MTOR (0.58) MTORPIK3CA
SCHEMBL4061883 0.86 MTOR (0.58) MTORPIK3CA
SCHEMBL482077 0.80 MTOR (0.64) MTORPIK3CAGSK3A
SCHEMBL481964 0.78 MTOR (0.61) MTORPIK3CAGSK3A
SCHEMBL481672 0.78 MTOR (0.72) MTORPIK3CAGSK3A
SCHEMBL481803 0.77 MTOR (0.78) MTORPIK3CAGSK3A
SCHEMBL481397 0.76 MTOR (0.67) MTORPIK3CAGSK3A
SCHEMBL481448 0.75 MTOR (0.85) MTORPIK3CAGSK3A
SCHEMBL481512 0.75 MTOR (0.80) MTORPIK3CAGSK3A
SCHEMBL481586 0.75 MTOR (0.73) MTORPIK3CAGSK3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7981893-B2 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2011-07-19 US claimed
EP-2078016-A2 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals LLC (US) 2009-07-15 EP claimed
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2009-01-22 US claimed
WO-2008051493-A2 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND THEIR USE AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2008-05-02 WO claimed

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-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith JAK2, PHKG1, PHKG2 MTOR 73/4885PIK3CA 221/4885GSK3A 327/4885

“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.