SCHEMBL4024261

SCHEMBL4024261

O=c1n(Cc2ccccc2)c2nc(-c3cccc(O)c3)nc(C3=CCOCC3)c2n1Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 16/20 0.59
MTOR P42345 7/20 0.59
PIK3CD O00329 5/20 0.49
PIK3CG P48736 6/20 0.39
PIK3CB P42338 3/20 0.39
ADORA3 P0DMS8 1/20 0.38
CASR P41180 1/20 0.38
GRIA1 P42261 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL4024484 0.75 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3CG
SCHEMBL4020168 0.74 PIK3CA (0.69) PIK3CAMTORPIK3CDPIK3CG
SCHEMBL4176935 0.74 PIK3CA (0.58) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL4027204 0.72 PIK3CA (0.54) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL4169486 0.68 PIK3CA (0.59) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL4026472 0.68 PIK3CA (0.60) PIK3CAMTORPIK3CDPIK3CG
SCHEMBL4181420 0.67 PIK3CA (0.54) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL4024452 0.67 PIK3CA (0.51) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL4019672 0.67 PIK3CA (0.58) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL4184252 0.67 PIK3CA (0.55) PIK3CAMTORPIK3CDPIK3CGPIK3CB

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
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
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 disclosed
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 2/4885MTOR 1/4885PIK3CD 3/4885

“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.