SCHEMBL3323748

SCHEMBL3323748

Brc1cnn(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.54
LMNA P02545 2/20 0.54
PIK3R1 P27986 5/20 0.44
PIK3CA P42336 5/20 0.44
MTOR P42345 5/20 0.44
MAPK1 P28482 3/20 0.43
ALDH1A1 P00352 3/20 0.43
TSHR P16473 1/20 0.42
KDM4E B2RXH2 4/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL22466092 0.79 AKR1C3 (0.46) HTTLMNAMAPK1ALDH1A1KDM4E
SCHEMBL3326479 0.79 MTOR (0.43) PIK3R1PIK3CAMTORALDH1A1TSHR
SCHEMBL9418611 0.76 HTT (0.61) HTTLMNAPIK3R1PIK3CAMTOR
SCHEMBL8973821 0.74 HTT (0.63) HTTLMNAPIK3R1PIK3CAMTOR
SCHEMBL22466056 0.73 DHFR (0.49) HTTLMNAALDH1A1KMT2ASMN1; SMN2
SCHEMBL1873066 0.70 POLB (0.58) PIK3R1PIK3CAMTORMAPK1ALDH1A1
SCHEMBL2899743 0.69 KDM4E (0.48) HTTLMNAPIK3R1PIK3CAMTOR
SCHEMBL3327130 0.69 MTOR (0.62) HTTLMNAPIK3CAMTORMAPK1
SCHEMBL1309817 0.68 PIK3CA (0.55) HTTPIK3R1PIK3CAMTORALDH1A1
SCHEMBL1989269 0.68 MET (0.46) HTTLMNAPIK3R1PIK3CAMTOR

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 HTT 4100/4885LMNA 2032/4885PIK3R1 3380/4885
US-20100130473-A1 COMPOUNDS CA6, CYP2B6, CA4 HTT 3799/4885LMNA 2245/4885PIK3R1 3762/4885

“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.