SCHEMBL3326656

SCHEMBL3326656

COc1cc(-c2cncn2-c2ccnc(N3CCOCC3)n2)cc(OC)c1O

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 8/20 0.67
▸ ERN1 O75460 1/20 0.44
▸ PIK3CA P42336 3/20 0.41
▸ SUV39H2 Q9H5I1 3/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ PDE5A O76074 1/20 0.39
▸ PDE6A P16499 1/20 0.39
▸ PDE1B Q01064 1/20 0.39
▸ PDE3A Q14432 1/20 0.39
▸ PIK3CD O00329 2/20 0.39
▸ PIK3CB P42338 2/20 0.39
▸ PIK3R1 P27986 1/20 0.39
▸ PIK3CG P48736 1/20 0.39

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
SCHEMBL3327066 0.80 MTOR (1.00) MTORERN1PIK3CASUV39H2JAK2
SCHEMBL3326770 0.76 MTOR (1.00) MTORERN1PIK3CASUV39H2JAK2
SCHEMBL3326778 0.75 MTOR (0.68) MTORERN1PIK3CASUV39H2JAK2
SCHEMBL3327820 0.73 PIK3CA (0.46) MTORPIK3CAPIK3CDPIK3CBPIK3R1
SCHEMBL3327637 0.71 MTOR (1.00) MTORERN1PIK3CAJAK2JAK3
SCHEMBL1310166 0.68 MTOR (1.00) MTORERN1PIK3CAPIK3CDPIK3CB
SCHEMBL5457199 0.67 PIK3CA (0.55) MTORPIK3CAPIK3CDPIK3CBPIK3R1
SCHEMBL1309671 0.66 MTOR (0.73) MTORERN1PIK3CAPIK3CDPIK3CB
SCHEMBL3327130 0.66 MTOR (0.62) MTORERN1PIK3CAPIK3CDPIK3CB
SCHEMBL24140809 0.66 MTOR (0.51) MTORERN1PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130473-A1 COMPOUNDS HUMMERSONE MARC GEOFFREY 2010-05-27 — — US disclosed
US-20100130473-A1 COMPOUNDS HUMMERSONE MARC GEOFFREY 2010-05-27 — — US disclosed
US-20100130473-A1 COMPOUNDS HUMMERSONE MARC GEOFFREY 2010-05-27 — — US disclosed
US-7504397-B2 mTOR inhibitor compounds KUDOS PHARMACEUTICALS LTD. (GB) 2009-03-17 — — US disclosed
US-7504397-B2 mTOR inhibitor compounds KUDOS PHARMACEUTICALS LTD. (GB) 2009-03-17 — — US disclosed
US-7504397-B2 mTOR inhibitor compounds KUDOS PHARMACEUTICALS LTD. (GB) 2009-03-17 — — US disclosed
EP-1877388-A2 HYDRAZINOMETHYL, HYDRAZONOMETHYL AND 5-MEMBERED HETEROCYLIC COMPOUNDS WHICH ACT AS MTOR INHIBITORS AND THEIR USE AS ANTI CANCER AGENTS Kudos Pharmaceuticals Ltd (GB) 2008-01-16 — — EP disclosed
US-20060199804-A1 Compounds KUDOS PHARMACEUTICALS LTD (GB) 2006-09-07 — — US disclosed
WO-2006090167-A2 HYDRAZINOMETHYL, HYDR ZONOMETHYL AND 5-MEMBERED HETEROCYLIC COMPOUNDS WHICH ACT AS MTOR INHIBITORS AND THEIR USE AS ANTI CANCER AGENTS KUDOS PHARMACEUTICALS LIMITED (GB) 2006-08-31 — — WO disclosed
WO-2006090167-A2 HYDRAZINOMETHYL, HYDR ZONOMETHYL AND 5-MEMBERED HETEROCYLIC COMPOUNDS WHICH ACT AS MTOR INHIBITORS AND THEIR USE AS ANTI CANCER AGENTS KUDOS PHARMACEUTICALS LIMITED (GB) 2006-08-31 — — 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 (2 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-20060199804-A1 Compounds CA4, CA6, CYP2B6 MTOR 3648/4885ERN1 3579/4885PIK3CA 2265/4885
US-20100130473-A1 COMPOUNDS CA6, CYP2B6, CA4 MTOR 3596/4885ERN1 3561/4885PIK3CA 2630/4885

“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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