SCHEMBL336613

SCHEMBL336613

c1nc(N2CCOCC2)c2[nH]cnc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 1.00
CHEK1 O14757 4/20 1.00
PDPK1 O15530 1/20 1.00
PAK1 Q13153 1/20 1.00
HTT P42858 6/20 0.73
TP53 P04637 1/20 0.73
AKT2 P31751 6/20 0.71
LMNA P02545 3/20 0.71
ALOX15 P16050 2/20 0.71
MAP3K5 Q99683 1/20 0.71
HRH4 Q9H3N8 1/20 0.68
PTK2B Q14289 1/20 0.64
MAPT P10636 3/20 0.63
HSD17B10 Q99714 3/20 0.59
TSHR P16473 2/20 0.59
CASP1 P29466 1/20 0.59
BRCA1 P38398 1/20 0.59
CASP7 P55210 1/20 0.59
RECQL P46063 2/20 0.58
AURKA O14965 2/20 0.56

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
SCHEMBL29898244 0.88 HTT (0.86) MAPK1CHEK1PDPK1PAK1HTT
SCHEMBL12048138 0.88 HTT (0.86) MAPK1CHEK1PDPK1PAK1HTT
SCHEMBL6755685 0.88 HTT (0.86) MAPK1CHEK1PDPK1PAK1HTT
SCHEMBL9095854 0.85 HTT (1.00) MAPK1CHEK1PDPK1PAK1HTT
SCHEMBL3287249 0.83 HTT (1.00) MAPK1CHEK1PDPK1PAK1HTT
SCHEMBL1030420 0.82 HTT (0.76) MAPK1CHEK1PDPK1PAK1HTT
SCHEMBL2301186 0.80 HTT (0.75) MAPK1CHEK1PDPK1PAK1HTT
SCHEMBL31713036 0.78 PTK2B (1.00) MAPK1CHEK1PDPK1PAK1HTT
SCHEMBL3322529 0.78 CHEK1 (0.64) MAPK1CHEK1PDPK1PAK1SRC
SCHEMBL12048165 0.78 HTT (0.69) MAPK1CHEK1PDPK1PAK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11541060-B2 Pharmaceutical compositions for treating pain Forever Cheer Holding Limited (HK) 2023-01-03 US claimed
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-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-4117718-A1 INFLAMMATORY BOWEL DISEASE STEM CELLS, AGENTS WHICH TARGET IBD STEM CELLS, AND USES RELATED THERETO University of Houston System (US) 2023-01-18 EP disclosed
US-11541060-B2 Pharmaceutical compositions for treating pain Forever Cheer Holding Limited (HK) 2023-01-03 US disclosed
US-20210401987-A1 METHODS AND COMPOSITIONS FOR TREATING INFLAMMATORY AND FIBROTIC PULMONARY DISORDERS UNIVERSITY OF HOUSTON SYSTEM (US) 2021-12-30 US disclosed
US-20210379021-A1 METHOD FOR PREPARING AND DELIVERING BISANTRENE FORMULATIONS RACE ONCOLOGY LTD (AU) 2021-12-09 US disclosed
US-11147800-B2 Combinatorial methods to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof RACE ONCOLOGY LTD. (AU) 2021-10-19 US disclosed
US-11135201-B2 Compositions to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof RACE ONCOLOGY LTD. (AU) 2021-10-05 US disclosed
US-5977061-A VIRICIDE AGAINST DNA VIRUSES INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 1999-11-02 US disclosed
EP-0821690-A1 NOVEL COMPOUNDS AND METHODS FOR THERAPY Ustav Organicke Chemie A Biochemie Akademie Ved Ceske Republiky (CZ) 1998-02-04 EP disclosed
WO-1996033200-A1 NOVEL COMPOUNDS AND METHODS FOR THERAPY ÚSTAV ORGANICKÉ CHEMIE A BIOCHEMIE AKADEMIE VED C^¿ESKÉ REPUBLIKY (CZ) 1996-10-24 WO disclosed
EP-0286425-B1 Therapeutic nucleosides WELLCOME FOUND (GB) 1995-01-11 EP 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-20210401987-A1 METHODS AND COMPOSITIONS FOR TREATING INFLAMMATORY AND FIBROTIC PULMONARY DISORDERS MMP1, MMP8, CCL11 MAPK1 1692/4885CHEK1 4589/4885PDPK1 1480/4885
US-11135201-B2 Compositions to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof CYP3A43, HCCS, MCL1 MAPK1 4301/4885CHEK1 666/4885PDPK1 2606/4885
US-11147800-B2 Combinatorial methods to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof CYP3A43, CYP11B1, MCL1 MAPK1 4193/4885CHEK1 936/4885PDPK1 2183/4885
US-20230149295-A1 INFLAMMATORY BOWEL DISEASE STEM CELLS, AGENTS WHICH TARGET IBD STEM CELLS, AND USES RELATED THERETO EPCAM, FABP2, TPMT MAPK1 1351/4885CHEK1 4459/4885PDPK1 2566/4885
US-20210379021-A1 METHOD FOR PREPARING AND DELIVERING BISANTRENE FORMULATIONS CYP3A43, CYP1A1, UGT1A3 MAPK1 4385/4885CHEK1 4354/4885PDPK1 3450/4885
US-11541060-B2 Pharmaceutical compositions for treating pain OPRM1, OPRL1, OPRD1 MAPK1 264/4885CHEK1 4715/4885PDPK1 1205/4885
US-20180333420-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATING PAIN OPRM1, OPRL1, OPRD1 MAPK1 264/4885CHEK1 4715/4885PDPK1 1205/4885

“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.