SCHEMBL2442888

SCHEMBL2442888

C=CC(=O)N1CC2(C1)CN(c1nc(-c3cnc(N)nc3)nc(N3CCOCC3)n1)C2

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.62
PIK3R1 P27986 14/20 0.62
MTOR P42345 8/20 0.62
PARP1 P09874 1/20 0.49
BRAF P15056 1/20 0.47
RICTOR Q6R327 1/20 0.44
RPTOR Q8N122 1/20 0.44
MAPKAP1 Q9BPZ7 1/20 0.44
MLST8 Q9BVC4 1/20 0.44

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
SCHEMBL1311059 0.90 PIK3CA (0.70) PIK3CAPIK3R1MTORPARP1BRAF
SCHEMBL2440200 0.84 PIK3CA (0.62) PIK3CAPIK3R1MTORPARP1BRAF
SCHEMBL30819019 0.82 JAK3 (0.44) PIK3CAPIK3R1
SCHEMBL2442030 0.81 PIK3CA (0.74) PIK3CAPIK3R1MTORRICTORRPTOR
SCHEMBL2472760 0.81 PIK3CA (0.78) PIK3CAPIK3R1MTORRICTORRPTOR
SCHEMBL1308957 0.79 PIK3CA (1.00) PIK3CAPIK3R1MTORRICTORRPTOR
SCHEMBL1309769 0.78 PIK3CA (0.75) PIK3CAPIK3R1MTORRICTORRPTOR
SCHEMBL909555 0.76 PIK3CA (0.69) PIK3CAPIK3R1MTORPARP1BRAF
SCHEMBL18117962 0.74 PIK3CA (0.89) PIK3CAPIK3R1MTORRICTORRPTOR
SCHEMBL1308493 0.74 PIK3CA (0.89) PIK3CAPIK3R1MTORRICTORRPTOR

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

“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.