SCHEMBL3124762

SCHEMBL3124762

OCc1cccc(-c2nc(N3CCOCC3)c3cc[nH]c3n2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 19/20 1.00
▸ MTOR P42345 14/20 1.00
▸ PIK3CD O00329 2/20 0.65
▸ PIK3CG P48736 4/20 0.59
▸ LRRK2 Q5S007 1/20 0.55
▸ PIK3R1 P27986 2/20 0.54

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
SCHEMBL3133403 0.86 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3CGPIK3R1
SCHEMBL3991523 0.83 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3CGLRRK2
SCHEMBL22287937 0.74 PIK3CA (0.75) PIK3CAMTORPIK3CDPIK3CGPIK3R1
SCHEMBL3431626 0.74 PIK3CA (0.59) PIK3CAMTORPIK3CDPIK3CGLRRK2
SCHEMBL4278372 0.74 PIK3CA (0.59) PIK3CAMTORPIK3CDPIK3CGLRRK2
SCHEMBL5593037 0.74 PIK3CA (0.66) PIK3CAMTORPIK3CDPIK3CGLRRK2
SCHEMBL16912833 0.74 PIK3CA (0.73) PIK3CAMTORPIK3CDPIK3CGPIK3R1
SCHEMBL2902888 0.74 MTOR (0.67) PIK3CAMTORPIK3CDPIK3CGPIK3R1
SCHEMBL3993229 0.74 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3CGPIK3R1
SCHEMBL3991904 0.73 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3CGLRRK2

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
US-20100003250-A1 (2-ARYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)MORPHOLINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2010-01-07 — — US claimed
WO-2010002954-A1 (2-ARYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)MORPHOLINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2010-01-07 — — WO claimed
US-20100003250-A1 (2-ARYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)MORPHOLINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2010-01-07 — — US disclosed
WO-2010002954-A1 (2-ARYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)MORPHOLINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2010-01-07 — — 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-20100003250-A1 (2-ARYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)MORPHOLINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, RICTOR, MAPKAP1 PIK3CA 4/4885MTOR 1/4885PIK3CD 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.

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