SCHEMBL3325520

SCHEMBL3325520

Brc1cn(-c2nccc(N3CCOCC3)n2)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 3/20 0.56
▸ AR P10275 2/20 0.54
▸ PIK3CA P42336 3/20 0.41
▸ PIK3CD O00329 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ CLK4 Q9HAZ1 1/20 0.41
▸ OGA O60502 1/20 0.41
▸ USP30 Q70CQ3 1/20 0.39
▸ PIK3R1 P27986 1/20 0.39
▸ PIK3CB P42338 1/20 0.39
▸ SORD Q00796 3/20 0.38
▸ ATR Q13535 1/20 0.38

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
SCHEMBL3325685 0.89 AR (0.57) MTORARPIK3CAPIK3CDKMT2A
SCHEMBL8251599 0.80 AR (0.58) MTORARPIK3CAKMT2AALDH1A1
SCHEMBL5457199 0.79 PIK3CA (0.55) MTORPIK3CAPIK3CDKMT2AMEN1
SCHEMBL17014730 0.77 AR (0.55) MTORARPIK3CAPIK3CDKMT2A
SCHEMBL20000530 0.75 PIK3CA (0.51) MTORPIK3CAPIK3CDKMT2AMEN1
SCHEMBL3326479 0.75 MTOR (0.43) MTORPIK3CAPIK3CDKMT2AMEN1
SCHEMBL21914804 0.75 PIK3CA (0.50) PIK3CAPIK3CDKMT2AMEN1USP2
SCHEMBL29790016 0.75 PIK3CA (0.50) PIK3CAPIK3CDKMT2AMEN1USP2
SCHEMBL3326770 0.73 MTOR (1.00) MTORPIK3CAPIK3CDATRATRIP
SCHEMBL19725018 0.73 PIK3CA (0.49) MTORPIK3CAPIK3CDKMT2AMEN1

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 11 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
CN-101128440-A Hydrazinomethyl, hydrazonomethyl and 5-membered heterocyclic compounds as mTOR inhibitors and their use as anti-cancer agents KUDOS PHARM LTD (GB) 2008-02-20 — — CN 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 3648/4885AR 1581/4885PIK3CA 2265/4885
US-20100130473-A1 COMPOUNDS CA6, CYP2B6, CA4 MTOR 3596/4885AR 1477/4885PIK3CA 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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