SCHEMBL4027002

SCHEMBL4027002

Nc1ccc(-c2nc(C3=CCOCC3)c3ccsc3n2)cn1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.44
PIK3CB P42338 1/20 0.44
MTOR P42345 18/20 0.41
PIK3R1 P27986 2/20 0.40
ADORA2A P29274 1/20 0.36
PIK3CD O00329 1/20 0.34
PIK3CG P48736 1/20 0.34
RICTOR Q6R327 1/20 0.33
RPTOR Q8N122 1/20 0.33
MAPKAP1 Q9BPZ7 1/20 0.33
MLST8 Q9BVC4 1/20 0.33

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
SCHEMBL4020397 0.88 PIK3CA (0.46) PIK3CAPIK3CBMTORPIK3R1ADORA2A
SCHEMBL4018546 0.83 PIK3CA (0.48) PIK3CAPIK3CBMTORADORA2APIK3CD
SCHEMBL4169486 0.77 PIK3CA (0.59) PIK3CAPIK3CBMTORADORA2APIK3CD
SCHEMBL4167520 0.77 MTOR (0.39) PIK3CAMTOR
SCHEMBL4020274 0.76 PIK3CA (0.58) PIK3CAMTORPIK3R1PIK3CD
SCHEMBL10008830 0.75 PIK3CA (0.42) PIK3CAPIK3CBMTORPIK3R1PIK3CD
SCHEMBL4023016 0.75 PIK3CA (0.74) PIK3CAMTORPIK3R1PIK3CDPIK3CG
SCHEMBL4019271 0.75 PIK3CA (0.56) PIK3CAMTORPIK3CDPIK3CGRICTOR
SCHEMBL4168598 0.74 PIK3CA (0.74) PIK3CAMTORPIK3CDPIK3CG
SCHEMBL4025439 0.73 MTOR (0.76) PIK3CAMTORPIK3CDPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009097490-A1 1H-PYRAZOLO[3,4-D]PYRIMIDINE, PURINE, 7H-PURIN-8(9H)-ONE, 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE, AND THIENO[3,2-D]PYRIMIDINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-08-06 WO claimed
US-20090192176-A1 1H-PYRAZOLO[3,4-D]PYRIMIDINE, PURINE, 7H-PURIN-8(9H)-ONE, 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE, AND THIENO[3,2-D]PYRIMIDINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-07-30 US claimed
US-20090192176-A1 1H-PYRAZOLO[3,4-D]PYRIMIDINE, PURINE, 7H-PURIN-8(9H)-ONE, 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE, AND THIENO[3,2-D]PYRIMIDINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-07-30 US 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-20090192176-A1 1H-PYRAZOLO[3,4-D]PYRIMIDINE, PURINE, 7H-PURIN-8(9H)-ONE, 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE, AND THIENO[3,2-D]PYRIMIDINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, PIK3CA, PIK3CD PIK3CA 2/4885PIK3CB 7/4885MTOR 1/4885

“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.