SCHEMBL3327950

SCHEMBL3327950

COc1cc(C=NNc2nc(Cl)nc(N3CCOCC3)n2)cc(OC)c1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 2/20 0.60
▸ GAA P10253 5/20 0.56
▸ HPGD P15428 1/20 0.56
▸ ALDH1A1 P00352 6/20 0.53
▸ MAPT P10636 8/20 0.52
▸ HTT P42858 3/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ AKR1C3 P42330 1/20 0.49
▸ AKR1C1 Q04828 1/20 0.49
▸ CYP1A2 P05177 2/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ PKM P14618 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46

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 1.00 MTOR (0.60) MTORGAAHPGDALDH1A1MAPT
SCHEMBL15890518 0.93 MTOR (0.65) MTORGAAHPGDALDH1A1MAPT
SCHEMBL22892508 0.74 MAPT (0.71) GAAHPGDALDH1A1MAPTHTT
SCHEMBL22737355 0.73 MAPT (0.57) GAAHPGDALDH1A1MAPTHTT
SCHEMBL22737346 0.73 DDX3X (0.59) GAAALDH1A1MAPTHTTKDM4E
SCHEMBL22737561 0.73 GBA1 (0.49) GAAALDH1A1MAPTHTTKDM4E
SCHEMBL26115021 0.72 MAPT (0.80) GAAHPGDALDH1A1MAPTHTT
SCHEMBL31653615 0.72 MAPT (0.80) GAAHPGDALDH1A1MAPTHTT
SCHEMBL26135108 0.72 MAPT (0.80) GAAHPGDALDH1A1MAPTHTT
SCHEMBL11900782 0.71 MAPT (0.67) GAAHPGDALDH1A1MAPTHTT

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 3648/4885GAA 3914/4885HPGD 1077/4885
US-20100130473-A1 COMPOUNDS CA6, CYP2B6, CA4 MTOR 3596/4885GAA 3830/4885HPGD 1027/4885

“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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