SCHEMBL2441685

SCHEMBL2441685

CNC(=O)Nc1ccc(-c2nc(N3CCOCC3)nc(N3CC4(COC4)C3)n2)cc1

nearest known ligand 0.82

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.82
MTOR P42345 20/20 0.82
PIK3CG P48736 18/20 0.82
PIK3R1 P27986 1/20 0.58

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
SCHEMBL32474 0.90 PIK3CA (1.00) PIK3CAMTORPIK3CGPIK3R1
SCHEMBL2443055 0.89 MTOR (0.83) PIK3CAMTORPIK3CG
SCHEMBL14629843 0.89 PIK3CA (0.67) PIK3CAMTORPIK3CG
SCHEMBL2442143 0.84 MTOR (0.58) PIK3CAMTORPIK3CGPIK3R1
SCHEMBL2523945 0.84 PIK3CA (0.87) PIK3CAMTORPIK3CGPIK3R1
SCHEMBL1409937 0.83 MTOR (0.85) PIK3CAMTORPIK3CG
SCHEMBL32345 0.82 MTOR (0.85) PIK3CAMTORPIK3CG
SCHEMBL32161 0.82 PIK3CA (1.00) PIK3CAMTORPIK3CGPIK3R1
SCHEMBL2444210 0.82 MTOR (0.85) PIK3CAMTORPIK3CGPIK3R1
SCHEMBL32189 0.81 MTOR (1.00) PIK3CAMTORPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130040934-A1 SPIROCYCLIC COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES UNIVERSITY OF BASEL (CH) 2013-02-14 US claimed
EP-2547684-A1 SPIROCYCLIC COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES University of Basel (CH) 2013-01-23 EP claimed
WO-2011114275-A1 SPIROCYCLIC COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES UNIVERSITY OF BASEL (CH) 2011-09-22 WO claimed
US-20130040934-A1 SPIROCYCLIC COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES UNIVERSITY OF BASEL (CH) 2013-02-14 US disclosed
EP-2547684-A1 SPIROCYCLIC COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES University of Basel (CH) 2013-01-23 EP 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-20130040934-A1 SPIROCYCLIC COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES CDK4, GRK4, RPS6KA4 PIK3CA 13/4885MTOR 6/4885PIK3CG 306/4885

“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.