Sugi Predict

Sugi Predict / Compounds / SCHEMBL336705

SCHEMBL336705

SCHEMBL336705

c1nc2cnc(N3CCOCC3)nc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.49
▸ CYP1A2 P05177 6/20 0.46
▸ ALDH1A1 P00352 5/20 0.46
▸ HSD17B10 Q99714 4/20 0.46
▸ USP2 O75604 1/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ CLK4 Q9HAZ1 1/20 0.45
▸ PIK3CA P42336 3/20 0.44
▸ TSHR P16473 2/20 0.44
▸ PIK3R1 P27986 1/20 0.44
▸ PIK3CD O00329 2/20 0.43
▸ PIK3CB P42338 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ SRC P12931 3/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ IGF1R P08069 1/20 0.41
▸ CASP1 P29466 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ CASP7 P55210 2/20 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
SCHEMBL30677292 1.00 KDM4E (0.49) KDM4ECYP1A2ALDH1A1HSD17B10USP2
SCHEMBL11611665 0.85 IP6K1 (0.44) ALDH1A1USP2MAPK1TSHRPOLB
SCHEMBL15322620 0.84 IP6K1 (0.43) ALDH1A1USP2MAPK1TSHRPOLB
SCHEMBL7311364 0.83 ALDH1A1 (0.47) KDM4ECYP1A2ALDH1A1HSD17B10USP2
SCHEMBL369828 0.79 CYP1A2 (0.33) KDM4ECYP1A2ALDH1A1HSD17B10USP2
SCHEMBL1568985 0.77 KDM4E (0.48) KDM4ECYP1A2ALDH1A1HSD17B10USP2
SCHEMBL27979011 0.76 KDM4E (0.47) KDM4ECYP1A2ALDH1A1HSD17B10USP2
SCHEMBL336706 0.75 PIK3CD (0.50) KDM4EALDH1A1MAPK1PIK3CATSHR
SCHEMBL15321805 0.75 PIK3CA (0.45) KDM4ECYP1A2ALDH1A1HSD17B10MAPK1
SCHEMBL1360345 0.75 PIK3CA (0.58) KDM4EALDH1A1MAPK1PIK3CATSHR

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112939979-A 2-morpholine purine derivative, preparation method thereof and application thereof in antitumor drugs 林剑雄 2021-06-11 — — CN claimed
EP-2834238-B1 DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITORS PFIZER (US) 2017-02-01 — — EP claimed
US-20150087585-A1 DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITORS PFIZER INC. (US) 2015-03-26 — — US claimed
CN-104334557-A Diacylglycerol acyltransferase 2 inhibitors PFIZER 2015-02-04 — — CN claimed
CN-112939979-A 2-morpholine purine derivative, preparation method thereof and application thereof in antitumor drugs 林剑雄 2021-06-11 — — CN disclosed
EP-2834238-B1 DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITORS PFIZER (US) 2017-02-01 — — EP disclosed
US-9296745-B2 Diacylglycerol acyltransferase 2 inhibitors PFIZER INC. (US) 2016-03-29 — — US disclosed
US-20150087585-A1 DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITORS PFIZER INC. (US) 2015-03-26 — — US disclosed
CN-104334557-A Diacylglycerol acyltransferase 2 inhibitors PFIZER 2015-02-04 — — CN disclosed
EP-2336132-B1 MORPHOLINOPURINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2014-01-01 — — EP disclosed
US-8513221-B2 PI3K isoform selective inhibitors Xcovery Holding, LLC (US) 2013-08-20 — — US disclosed
US-8513221-B2 PI3K isoform selective inhibitors Xcovery Holding, LLC (US) 2013-08-20 — — US disclosed
US-20110130395-A1 P13K ISOFORM SELECTIVE INHIBITORS XCOVERY HOLDING COMPANY LLC 2011-06-02 — — US disclosed
EP-2307414-A2 PI3K ISOFORM SELECTIVE INHIBITORS Xcovery Holding Company LLC (US) 2011-04-13 — — EP disclosed
EP-2307414-A2 PI3K ISOFORM SELECTIVE INHIBITORS Xcovery Holding Company LLC (US) 2011-04-13 — — EP disclosed
US-20100130492-A1 MORPHOLINOPURINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-05-27 — — US disclosed
WO-2010005558-A3 PI3K ISOFORM SELECTIVE INHIBITORS XCOVERY, INC. (US) 2010-04-15 — — WO disclosed
WO-2010005558-A2 PI3K ISOFORM SELECTIVE INHIBITORS XCOVERY, INC. (US) 2010-01-14 — — WO disclosed
WO-2010005558-A2 PI3K ISOFORM SELECTIVE INHIBITORS XCOVERY, INC. (US) 2010-01-14 — — WO disclosed
US-20080233127-A1 IMIDAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS PI3 KINASE AND MTOR INHIBITORS WYETH (US) 2008-09-25 — — US 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 (4 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-20150087585-A1 DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITORS DGAT2, DGAT1, PLAAT2 KDM4E 2925/4885CYP1A2 962/4885ALDH1A1 453/4885
US-20100130492-A1 MORPHOLINOPURINE DERIVATIVES MTOR, RICTOR, PIK3R1 KDM4E 772/4885CYP1A2 3323/4885ALDH1A1 2409/4885
US-20110130395-A1 P13K ISOFORM SELECTIVE INHIBITORS PI4KA, PIK3CA, PIKFYVE KDM4E 1132/4885CYP1A2 844/4885ALDH1A1 3798/4885
US-20080233127-A1 IMIDAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS PI3 KINASE AND MTOR INHIBITORS MTOR, RICTOR, MTMR1 KDM4E 2536/4885CYP1A2 3267/4885ALDH1A1 3278/4885

“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.