SCHEMBL6868432

SCHEMBL6868432

CNC(=O)c1ccccc1CO

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.66
GAA P10253 2/20 0.66
LMNA P02545 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
PLK1 P53350 2/20 0.56
NPC1 O15118 1/20 0.53
TP53 P04637 1/20 0.53
RAB9A P51151 1/20 0.53
ALDH1A1 P00352 2/20 0.45
BRD4 O60885 2/20 0.45
BRD2 P25440 1/20 0.44
BRD3 Q15059 1/20 0.44
BRDT Q58F21 1/20 0.44
HTT P42858 1/20 0.44
GLS O94925 1/20 0.43
BCAT2 O15382 1/20 0.43
KDM4E B2RXH2 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CHRNB2 P17787 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
SCHEMBL5954191 0.86 GAA (0.57) HPGDGAALMNAL3MBTL1PLK1
SCHEMBL11743421 0.85 GAA (0.52) HPGDGAALMNAL3MBTL1PLK1
SCHEMBL2537984 0.82 GAA (0.53) HPGDGAALMNAL3MBTL1PLK1
SCHEMBL17629659 0.82 GAA (0.53) HPGDGAALMNAL3MBTL1PLK1
SCHEMBL16597336 0.82 GAA (0.53) HPGDGAALMNAL3MBTL1PLK1
SCHEMBL8339183 0.82 GAA (0.53) HPGDGAALMNAL3MBTL1PLK1
SCHEMBL4763592 0.82 GAA (0.53) HPGDGAALMNAL3MBTL1PLK1
SCHEMBL3412935 0.82 GAA (0.62) HPGDGAALMNAL3MBTL1NPC1
SCHEMBL1098843 0.82 GAA (0.62) HPGDGAALMNAL3MBTL1NPC1
SCHEMBL13705878 0.81 GAA (0.52) HPGDGAALMNAL3MBTL1PLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3898631-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. Hoffmann-La Roche AG (CH) 2021-10-27 EP claimed
WO-2020126953-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 WO claimed
EP-4070795-A1 NOVEL ULK1 INHIBITORS AND METHODS USING SAME Salk Institute for Biological Studies (US) 2022-10-12 EP disclosed
EP-3185868-B1 NOVEL ULK1 INHIBITORS AND METHODS USING SAME SALK INST FOR BIOLOGICAL STUDI (US) 2022-04-06 EP disclosed
US-10774092-B2 ULK1 inhibitors and methods using same SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2020-09-15 US disclosed
US-10774092-B2 ULK1 inhibitors and methods using same SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2020-09-15 US disclosed
US-20200239452-A1 IDO/TDO Inhibitor CANBAS CO., LTD. (JP) 2020-07-30 US disclosed
US-10689397-B2 ULK1 inhibitors and methods using same SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2020-06-23 US disclosed
US-10689397-B2 ULK1 inhibitors and methods using same SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2020-06-23 US disclosed
EP-3638229-A1 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE Biocryst Pharmaceuticals, Inc. (US) 2020-04-22 EP disclosed
US-20190284207-A1 NOVEL ULK1 INHIBITORS AND METHODS USING SAME SALK INSTITUTE FOR BIOLOGICAL STUDIES 2019-09-19 US disclosed
US-20130143858-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS ASTRAZENECA AB (SE) 2013-06-06 US disclosed
US-8361998-B2 Compounds and their use as IKACh blockers ASTRAZENECA AB 2013-01-29 US disclosed
US-20120142659-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS ASTRAZENECA AB (SE) 2012-06-07 US disclosed
US-7179802-B2 11-beta-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK & CO., INC. (US) 2007-02-20 US disclosed
US-6806279-B2 FOR THERAPY OF AUTOIMMUNE DISEASES SUCH AS RHEUMATOID ARTHRITIS, MULTIPLE SCLEROSIS, UVEITIS, AND PSORIASIS, ALLOGRAFT REJECTION, AND GRAFT-VERSUS-HOST DISEASE SUNESIS PHARMACEUTICALS, INC. 2004-10-19 US disclosed
US-20030149049-A1 Small-molecule inhibitors of interleukin-2 SUNESIS PHARMACEUTICALS, INC. 2003-08-07 US disclosed
WO-2003051797-A2 SMALL-MOLECULE INHIBITORS OF INTERLEUKIN-2 SUNESIS PHARMACEUTICALS, INC. (US) 2003-06-26 WO disclosed
US-4175191-A 4-Phenyl isoquinolines SANDOZ, INC. (US) 1979-11-20 US disclosed
US-3989704-A 3-Substituted-4-aryl isoquinolines SANDOZ, INC. (US) 1976-11-02 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-10689397-B2 ULK1 inhibitors and methods using same ULK1, ULK2, ULK3 HPGD 3505/4885GAA 523/4885LMNA 4086/4885
US-20130143858-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS KCNH2, KCNJ2, KCNH3 HPGD 3343/4885GAA 4673/4885LMNA 607/4885
US-20030149049-A1 Small-molecule inhibitors of interleukin-2 IL2, IL2RA, HLA-DRB1 HPGD 669/4885GAA 4050/4885LMNA 4800/4885
US-20200239452-A1 IDO/TDO Inhibitor IDO1, IDO2, TDO2 HPGD 1152/4885GAA 3551/4885LMNA 4867/4885
US-20120142659-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS KCNH2, KCNJ2, KCNH3 HPGD 3343/4885GAA 4673/4885LMNA 607/4885
US-10774092-B2 ULK1 inhibitors and methods using same ULK1, ULK2, ULK3 HPGD 3505/4885GAA 523/4885LMNA 4086/4885
US-20190284207-A1 NOVEL ULK1 INHIBITORS AND METHODS USING SAME ULK1, ULK2, ULK3 HPGD 3825/4885GAA 546/4885LMNA 4187/4885

“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.