SCHEMBL336706

SCHEMBL336706

c1nc2nc(N3CCOCC3)ncc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.50
PIK3CA P42336 1/20 0.50
PIK3CB P42338 1/20 0.50
KDM4E B2RXH2 2/20 0.49
SCD O00767 2/20 0.48
SRC P12931 8/20 0.48
MAPK1 P28482 2/20 0.47
CHEK1 O14757 1/20 0.47
PDPK1 O15530 1/20 0.47
PAK1 Q13153 1/20 0.47
ALDH1A1 P00352 2/20 0.46
TSHR P16473 1/20 0.44
POLB P06746 1/20 0.43
ABL1 P00519 1/20 0.42
EGFR P00533 1/20 0.42
ERBB2 P04626 1/20 0.42
MET P08581 1/20 0.42
PDGFRB P09619 1/20 0.42
KIT P10721 1/20 0.42
FGFR1 P11362 1/20 0.42

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
SCHEMBL11611674 0.85 SCD (0.51) KDM4ESCDMAPK1PAK1ALDH1A1
SCHEMBL20089108 0.84 SCD (0.50) KDM4ESCDMAPK1PAK1ALDH1A1
SCHEMBL2508000 0.83 SCD (0.49) KDM4ESCDSRCALDH1A1TSHR
SCHEMBL3722451 0.77 PIK3CA (0.49) PIK3CDPIK3CAPIK3CBKDM4EMAPK1
SCHEMBL30677292 0.75 KDM4E (0.49) PIK3CDPIK3CAPIK3CBKDM4ESRC
SCHEMBL336705 0.75 KDM4E (0.49) PIK3CDPIK3CAPIK3CBKDM4ESRC
SCHEMBL3322529 0.74 CHEK1 (0.64) PIK3CASRCMAPK1CHEK1PDPK1
SCHEMBL4243835 0.74 KDM4E (0.48) PIK3CDPIK3CAPIK3CBKDM4EMAPK1
SCHEMBL31069504 0.73 SRC (0.58) PIK3CDPIK3CAPIK3CBKDM4ESRC
SCHEMBL1286633 0.72 PIK3CA (0.50) PIK3CDPIK3CAPIK3CBKDM4EMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024014885-A1 NOVEL BICYCLIC HETEROARYL COMPOUND AND USE THEREOF 일동제약(주) 2024-01-18 WO claimed
CN-112939979-A 2-morpholine purine derivative, preparation method thereof and application thereof in antitumor drugs 林剑雄 2021-06-11 CN claimed
WO-2024014885-A1 NOVEL BICYCLIC HETEROARYL COMPOUND AND USE THEREOF 일동제약(주) 2024-01-18 WO disclosed
EP-4161519-A1 PURINES AND METHODS OF THEIR USE Yumanity Therapeutics, Inc. (US) 2023-04-12 EP disclosed
US-11541027-B2 Use of dianhydrogalactitol and analogs or derivatives thereof in combination with platinum-containing antineoplastic agents to treat non-small-cell carcinoma of the lung and brain metastases DEL MAR PHARMACEUTICALS (BC) LTD. (CA) 2023-01-03 US disclosed
CN-112939979-A 2-morpholine purine derivative, preparation method thereof and application thereof in antitumor drugs 林剑雄 2021-06-11 CN disclosed
CN-103003279-B Purine compounds selective for PI3K P110 and methods of use thereof F. HOFFMANN-LA ROCHE AG (CH) 2015-09-23 CN disclosed
CN-102459272-B Bicyclic pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH INC 2014-08-06 CN disclosed
CN-102245607-B Morpholinopurine derivative DAIICHI SANKYO CO LTD 2014-07-02 CN disclosed
CN-102105474-B Purine PI3K inhibitor compounds and methods of use GENENTECH INC 2014-01-08 CN disclosed
EP-2336132-B1 MORPHOLINOPURINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2014-01-01 EP disclosed
US-8309546-B2 Morpholinopurine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-11-13 US disclosed
CN-102459272-A Bicyclic pyrimidine pi3k inhibitor compounds selective for p110 delta, and methods of use GENENTECH INC 2012-05-16 CN disclosed
US-20120071476-A1 MORPHOLINOPURINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-22 US disclosed
US-8097622-B2 Morpholinopurine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-17 US disclosed
CN-102245607-A Morpholinopurine derivative DAIICHI SANKYO CO LTD 2011-11-16 CN disclosed
EP-2336132-A1 MORPHOLINOPURINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2011-06-22 EP disclosed
CN-102105474-A Purine PI3K inhibitor compounds and methods of use GENENTECH INC 2011-06-22 CN disclosed
WO-2010114494-A1 8-SUBSTITUTED-2-MORPHOLINO PURINES FOR USE AS PI3K AND/OR MTOR INHIBITORS IN THE TREATMENT OF PROLIFERATIVE DISORDERS S*BIO PTE LTD (SG) 2010-10-07 WO disclosed
US-20100130492-A1 MORPHOLINOPURINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-05-27 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 (3 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-20100130492-A1 MORPHOLINOPURINE DERIVATIVES MTOR, RICTOR, PIK3R1 PIK3CD 46/4885PIK3CA 22/4885PIK3CB 102/4885
US-20120071476-A1 MORPHOLINOPURINE DERIVATIVES MTOR, RICTOR, PIK3R1 PIK3CD 46/4885PIK3CA 22/4885PIK3CB 102/4885
US-11541027-B2 Use of dianhydrogalactitol and analogs or derivatives thereof in combination with platinum-containing antineoplastic agents to treat non-small-cell carcinoma of the lung and brain metastases DNMT1, MGMT, DCK PIK3CD 495/4885PIK3CA 607/4885PIK3CB 830/4885

“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.