SCHEMBL4286445

SCHEMBL4286445

Cn1cc(C=C2Oc3cc(O)cc(O)c3C2=O)c2c(N3CCCC3)ccnc21

nearest known ligand 0.88

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.88
MTOR P42345 18/20 0.88
MAOA P21397 2/20 0.53
MAOB P27338 2/20 0.53
PIK3CG P48736 1/20 0.53

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
SCHEMBL4384716 1.00 PIK3CA (0.88) PIK3CAMTORMAOAMAOBPIK3CG
SCHEMBL3216208 0.99 PIK3CA (0.87) PIK3CAMTORMAOAMAOBPIK3CG
SCHEMBL3216232 0.99 PIK3CA (0.87) PIK3CAMTORMAOAMAOBPIK3CG
SCHEMBL4289039 0.99 PIK3CA (0.87) PIK3CAMTORMAOAMAOBPIK3CG
SCHEMBL4383416 0.99 PIK3CA (0.87) PIK3CAMTORMAOAMAOBPIK3CG
SCHEMBL4380560 0.94 PIK3CA (1.00) PIK3CAMTORMAOBPIK3CG
SCHEMBL4290153 0.94 PIK3CA (1.00) PIK3CAMTORMAOBPIK3CG
SCHEMBL4386013 0.93 PIK3CA (0.85) PIK3CAMTORMAOAMAOBPIK3CG
SCHEMBL4282873 0.93 PIK3CA (0.85) PIK3CAMTORMAOAMAOBPIK3CG
SCHEMBL4382628 0.91 PIK3CA (0.83) PIK3CAMTORPIK3CG

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-2009155052-A1 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-23 WO claimed
US-20090298820-A1 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-03 US claimed
WO-2009155052-A1 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-23 WO disclosed
US-20090298820-A1 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-03 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-20090298820-A1 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, PIK3CA, PIK3C2B PIK3CA 2/4885MTOR 1/4885MAOA 3762/4885

“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.