SCHEMBL16332803

SCHEMBL16332803

C[C@H]1COCCN1c1ccc(Br)nc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 7/20 0.44
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
MTOR P42345 14/20 0.41
PIK3CA P42336 9/20 0.41
PIK3R1 P27986 7/20 0.41
RICTOR Q6R327 5/20 0.41
RPTOR Q8N122 5/20 0.41
MAPKAP1 Q9BPZ7 5/20 0.41
MLST8 Q9BVC4 5/20 0.41
PIK3CD O00329 2/20 0.41
PIK3CB P42338 2/20 0.41
PIK3CG P48736 2/20 0.41

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
SCHEMBL16332686 1.00 PIK3C3 (0.44) PIK3C3CHRNB2CHRNA4MTORPIK3CA
SCHEMBL23103865 0.84 PIK3C3 (0.46) PIK3C3CHRNB2CHRNA4MTORPIK3CA
SCHEMBL27965766 0.82 MTOR (0.55) PIK3C3MTORPIK3CAPIK3R1RICTOR
SCHEMBL20917110 0.82 MTOR (0.55) PIK3C3MTORPIK3CAPIK3R1RICTOR
SCHEMBL25147362 0.82 PIK3C3 (0.44) PIK3C3MTORPIK3CAPIK3R1RICTOR
SCHEMBL17055234 0.82 MTOR (0.55) PIK3C3MTORPIK3CAPIK3R1RICTOR
SCHEMBL23132845 0.80 PIK3C3 (0.42) PIK3C3MTORPIK3CAPIK3R1RICTOR
SCHEMBL23114348 0.80 PIK3C3 (0.42) PIK3C3MTORPIK3CAPIK3R1RICTOR
SCHEMBL23114347 0.80 PIK3C3 (0.42) PIK3C3MTORPIK3CAPIK3R1RICTOR
SCHEMBL22601578 0.80 PIK3C3 (0.42) PIK3C3MTORPIK3CAPIK3R1RICTOR

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-9085578-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-07-21 US disclosed
US-9085578-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-07-21 US disclosed
US-20150045349-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED 2015-02-12 US disclosed
US-20150045349-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED 2015-02-12 US disclosed
EP-2818473-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2014-12-31 EP disclosed
EP-2818473-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2014-12-31 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-20150045349-A1 HETEROCYCLIC COMPOUND TYK2, SSB, UACA PIK3C3 217/4885CHRNB2 3277/4885CHRNA4 3894/4885

“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.