SCHEMBL2440331

SCHEMBL2440331

Nc1cc(C(F)(F)F)c(-c2nc(N3CCOCC3)cc(N3CC4(COC4)C3)n2)cn1

nearest known ligand 0.82

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.82
MTOR P42345 18/20 0.82
PIK3R1 P27986 6/20 0.65
RICTOR Q6R327 5/20 0.65
RPTOR Q8N122 5/20 0.65
MAPKAP1 Q9BPZ7 5/20 0.65
MLST8 Q9BVC4 5/20 0.65
PIK3CD O00329 2/20 0.65
PIK3C2B O00750 2/20 0.65
PIK3CB P42338 2/20 0.65
PIK3CG P48736 2/20 0.65
PRKDC P78527 2/20 0.65
PIK3C3 Q8NEB9 2/20 0.65
PI4KB Q9UBF8 2/20 0.65
AKR1C3 P42330 1/20 0.60
PIK3R5 Q8WYR1 1/20 0.60

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
SCHEMBL855515 0.90 PIK3CA (1.00) PIK3CAMTORPIK3R1RICTORRPTOR
SCHEMBL2444281 0.88 PIK3CA (0.82) PIK3CAMTORPIK3R1RICTORRPTOR
SCHEMBL2441794 0.85 MTOR (0.81) PIK3CAMTORPIK3R1RICTORRPTOR
SCHEMBL2447912 0.85 MTOR (0.81) PIK3CAMTORPIK3R1RICTORRPTOR
SCHEMBL2447372 0.84 MTOR (0.63) PIK3CAMTORPIK3R1PIK3CDPIK3C2B
SCHEMBL2445766 0.80 PIK3CA (0.78) PIK3CAMTORPIK3R1RICTORRPTOR
SCHEMBL2813906 0.79 MTOR (0.77) PIK3CAMTORPIK3R1RICTORRPTOR
Bimiralisib SCHEMBL1309049 0.79 PIK3CA (1.00) PIK3CAMTORPIK3R1RICTORRPTOR
Bimiralisib SCHEMBL29352266 0.79 PIK3CA (1.00) PIK3CAMTORPIK3R1RICTORRPTOR
SCHEMBL7923443 0.79 MTOR (0.78) PIK3CAMTORPIK3R1RICTORRPTOR

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 PIK3CA 13/4885MTOR 6/4885PIK3R1 151/4885

“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.