SCHEMBL2447372

SCHEMBL2447372

Nc1ncc(-c2nc(N3CCOCC3)cc(N3CC4(COC4)C3)n2)c(C(F)(F)F)n1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTOR P42345 14/20 0.63
PIK3CA P42336 11/20 0.63
PIK3CB P42338 5/20 0.63
PIK3CD O00329 2/20 0.63
PIK3CG P48736 2/20 0.63
PIK3C2B O00750 1/20 0.63
PIK3R1 P27986 1/20 0.63
PIK3C3 Q8NEB9 1/20 0.63
PI4KB Q9UBF8 1/20 0.63

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
SCHEMBL855340 0.90 MTOR (0.76) MTORPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL2441848 0.87 PIK3CA (0.81) MTORPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL2442433 0.85 MTOR (0.81) MTORPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL2442245 0.85 MTOR (0.81) MTORPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL2440331 0.84 PIK3CA (0.82) MTORPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL2440442 0.82 PIK3CA (0.56) MTORPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL1311948 0.79 PIK3CA (0.71) MTORPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL1309466 0.78 PIK3CA (1.00) MTORPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL29879988 0.78 PIK3CA (1.00) MTORPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL856368 0.77 MTOR (0.60) MTORPIK3CAPIK3CBPIK3CDPIK3CG

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-20130040934-A1 SPIROCYCLIC COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES UNIVERSITY OF BASEL (CH) 2013-02-14 US 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
WO-2011114275-A1 SPIROCYCLIC COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES UNIVERSITY OF BASEL (CH) 2011-09-22 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-20130040934-A1 SPIROCYCLIC COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES CDK4, GRK4, RPS6KA4 MTOR 6/4885PIK3CA 13/4885PIK3CB 260/4885

“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.