SCHEMBL3327957

SCHEMBL3327957

COc1cc(C(=NN)c2nc(Cl)nc(N3CCOCC3)n2)cc(OC)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 9/20 0.52
▸ MAPT P10636 3/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ PIK3CA P42336 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PIK3CD O00329 1/20 0.40
▸ PIK3CB P42338 1/20 0.40
▸ PIK3CG P48736 1/20 0.40
▸ SUV39H2 Q9H5I1 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.37
▸ TSHR P16473 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ AGER Q15109 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37

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
SCHEMBL3327945 0.71 MTOR (0.60) MTORMAPTKDM4EMEN1LMNA
SCHEMBL3327950 0.71 MTOR (0.60) MTORMAPTKDM4EMEN1LMNA
SCHEMBL11900792 0.70 PIK3CD (0.48) MTORMAPTL3MBTL1PIK3CAPIK3CD
SCHEMBL1311921 0.68 MTOR (0.59) MTORMAPTPIK3CASMN1; SMN2PIK3CD
SCHEMBL1310166 0.68 MTOR (1.00) MTORMAPTPIK3CASMN1; SMN2PIK3CD
SCHEMBL1310716 0.68 MTOR (0.59) MTORMAPTL3MBTL1PIK3CASMN1; SMN2
SCHEMBL3327130 0.66 MTOR (0.62) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL1309671 0.66 MTOR (0.73) MTORMAPTL3MBTL1PIK3CAPIK3CD
SCHEMBL1311137 0.66 MTOR (0.59) MTORMAPTPIK3CASMN1; SMN2PIK3CD
SCHEMBL22098675 0.66 SMN1; SMN2 (0.63) MAPTL3MBTL1SMN1; SMN2HSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 3648/4885MAPT 4672/4885L3MBTL1 2640/4885
US-20100130473-A1 COMPOUNDS CA6, CYP2B6, CA4 MTOR 3596/4885MAPT 4601/4885L3MBTL1 2835/4885

“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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