SCHEMBL3327066

SCHEMBL3327066

COc1cc(-c2cn(-c3ccnc(N4CCOCC4)n3)cn2)cc(OC)c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 8/20 1.00
▸ PIK3CA P42336 1/20 0.45
▸ JAK2 O60674 2/20 0.45
▸ JAK3 P52333 1/20 0.45
▸ SUV39H2 Q9H5I1 3/20 0.45
▸ CYP3A4 P08684 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ ERN1 O75460 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41

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
SCHEMBL3326770 0.92 MTOR (1.00) MTORPIK3CAJAK2JAK3SUV39H2
SCHEMBL1310166 0.85 MTOR (1.00) MTORPIK3CACYP3A4CYP2C9ERN1
SCHEMBL3326656 0.80 MTOR (0.67) MTORPIK3CAJAK2JAK3SUV39H2
SCHEMBL2440966 0.77 MTOR (0.83) MTORPIK3CACYP3A4CYP2C9ERN1
SCHEMBL3326778 0.77 MTOR (0.68) MTORPIK3CAJAK2JAK3SUV39H2
SCHEMBL3327637 0.77 MTOR (1.00) MTORPIK3CAJAK2JAK3CYP3A4
SCHEMBL3325685 0.73 AR (0.57) MTORPIK3CATSHR
SCHEMBL5457199 0.69 PIK3CA (0.55) MTORPIK3CAKDM4ECYP1A2TSHR
SCHEMBL1309671 0.68 MTOR (0.73) MTORPIK3CACYP3A4CYP2C9ERN1
SCHEMBL3327130 0.68 MTOR (0.62) MTORPIK3CACYP3A4CYP2C9ERN1

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 3648/4885PIK3CA 2265/4885JAK2 4597/4885
US-20100130473-A1 COMPOUNDS CA6, CYP2B6, CA4 MTOR 3596/4885PIK3CA 2630/4885JAK2 4530/4885

“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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