SCHEMBL336612

SCHEMBL336612

c1nc(N2CCOCC2)c2nc[nH]c2n1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.60
PDPK1 O15530 1/20 0.60
MAPK1 P28482 1/20 0.60
PAK1 Q13153 1/20 0.60
JAK3 P52333 1/20 0.59
KDM4E B2RXH2 1/20 0.54
GAA P10253 1/20 0.54
LRRK2 Q5S007 11/20 0.52
STK4 Q13043 8/20 0.52
STK3 Q13188 8/20 0.52
CSF1R P07333 1/20 0.48

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
SCHEMBL29804858 1.00 CHEK1 (0.60) CHEK1PDPK1MAPK1PAK1JAK3
SCHEMBL6755688 0.88 HTT (0.47) CHEK1PDPK1MAPK1PAK1JAK3
SCHEMBL29804936 0.84 HTT (0.57) CHEK1PDPK1MAPK1PAK1JAK3
SCHEMBL9095851 0.84 HTT (0.57) CHEK1PDPK1MAPK1PAK1JAK3
SCHEMBL31740761 0.84 HTT (0.53) CHEK1PDPK1MAPK1PAK1JAK3
SCHEMBL31061628 0.84 CHEK1 (0.47) CHEK1PDPK1MAPK1PAK1JAK3
SCHEMBL29804847 0.83 HTT (0.58) CHEK1PDPK1MAPK1PAK1JAK3
SCHEMBL8939237 0.83 HTT (0.58) CHEK1PDPK1MAPK1PAK1JAK3
SCHEMBL8826341 0.81 IKBKB (0.52) CHEK1PDPK1MAPK1PAK1JAK3
SCHEMBL1030418 0.81 HTR2C (0.58) CHEK1PDPK1MAPK1PAK1JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180333420-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATING PAIN FOREVER CHEER INTERNATIONAL LTD (HK) 2018-11-22 US claimed
EP-3403674-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATING PAIN Forever Cheer International Limited (HK) 2018-11-21 EP claimed
US-20110098295-A1 METHODS OF TREATING ANXIETY, ITCHING AND PSYCHIATRIC DISORDERS ZHUO MIN 2011-04-28 US claimed
EP-2215090-A1 PURINE DERIVATIVES USEFUL AS PI3 KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-08-11 EP claimed
WO-2009053716-A1 PURINE DERIVATIVES USEFUL AS PI3 KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2009-04-30 WO claimed
US-12275739-B2 Inhibitors of menin-MLL interaction BIOMEA FUSION, INC. (US) 2025-04-15 US disclosed
US-20240140953-A1 INHIBITORS OF MENIN-MLL INTERACTION BIOMEA FUSION, INC. 2024-05-02 US disclosed
US-20240124467-A1 FUSED PYRIMIDINE COMPOUNDS AS INHIBITORS OF MENIN-MLL INTERACTION BIOMEA FUSION, INC. 2024-04-18 US disclosed
US-11845753-B2 Inhibitors of menin-mll interaction BIOMEA FUSION, INC. (US) 2023-12-19 US disclosed
EP-4263542-A1 FUSED PYRIMIDINE COMPOUNDS AS INHIBITORS OF MENIN-MLL INTERACTION Biomea Fusion, Inc. (US) 2023-10-25 EP disclosed
US-20230149295-A1 INFLAMMATORY BOWEL DISEASE STEM CELLS, AGENTS WHICH TARGET IBD STEM CELLS, AND USES RELATED THERETO UNIVERSITY OF HOUSTON SYSTEM (US) 2023-05-18 US disclosed
EP-4121111-A1 METHODS AND COMPOSITIONS FOR TREATING INFLAMMATORY AND FIBROTIC PULMONARY DISORDERS University of Houston System (US) 2023-01-25 EP disclosed
EP-0286425-B1 Therapeutic nucleosides WELLCOME FOUND (GB) 1995-01-11 EP disclosed
EP-0625158-A1 THERAPEUTIC NUCLEOSIDES THE WELLCOME FOUNDATION LIMITED (GB) 1994-11-23 EP disclosed
WO-1993014103-A1 THERAPEUTIC NUCLEOSIDES THE WELLCOME FOUNDATION LIMITED (GB) 1993-07-22 WO disclosed
US-5185437-A 6-substituted 2',3'-dideoxypurine nucleosides; treatment for human immunodeficiency virus and heptatis b virus BURROUGHS WELLCOME CO. (US) 1993-02-09 US disclosed
US-5068320-A 2-amino-6-(cyclopropylamino)purine-9-β-D-2',3'-dideoxyribofuranoside and its pharmaceutically acceptable salts BURROUGHS WELLCOME CO. (US) 1991-11-26 US disclosed
EP-0421819-A1 Therapeutic nucleosides THE WELLCOME FOUNDATION LIMITED (GB) 1991-04-10 EP disclosed
EP-0286425-A2 Therapeutic nucleosides THE WELLCOME FOUNDATION LIMITED (GB) 1988-10-12 EP disclosed
US-3996361-A ANTIEDEMATOUS, REDUCING CAPILLARY PERMEABILITY BOEHRINGER MANNHEIM G.M.B.H. (DT) 1976-12-07 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 (7 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-12275739-B2 Inhibitors of menin-MLL interaction MLLT1, MEN1, MLLT3 CHEK1 1159/4885PDPK1 1267/4885MAPK1 1093/4885
US-20240124467-A1 FUSED PYRIMIDINE COMPOUNDS AS INHIBITORS OF MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 CHEK1 887/4885PDPK1 1206/4885MAPK1 1898/4885
US-20230149295-A1 INFLAMMATORY BOWEL DISEASE STEM CELLS, AGENTS WHICH TARGET IBD STEM CELLS, AND USES RELATED THERETO EPCAM, FABP2, TPMT CHEK1 4459/4885PDPK1 2566/4885MAPK1 1351/4885
US-20110098295-A1 METHODS OF TREATING ANXIETY, ITCHING AND PSYCHIATRIC DISORDERS SLC18A2, SLC1A2, CRH CHEK1 4542/4885PDPK1 4496/4885MAPK1 4258/4885
US-20240140953-A1 INHIBITORS OF MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 CHEK1 1159/4885PDPK1 1267/4885MAPK1 1093/4885
US-20180333420-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATING PAIN OPRM1, OPRL1, OPRD1 CHEK1 4715/4885PDPK1 1205/4885MAPK1 264/4885
US-11845753-B2 Inhibitors of menin-mll interaction MLLT1, MEN1, MLLT3 CHEK1 1159/4885PDPK1 1267/4885MAPK1 1093/4885

“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.