SCHEMBL786348

SCHEMBL786348

CC(C)c1cc(C(C)C)ncn1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
TSHR P16473 1/20 0.30
CRHBP P24387 1/20 0.30
CYP2C19 P33261 1/20 0.30
CRHR2 Q13324 1/20 0.30

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
SCHEMBL22652308 0.87 NOS3 (0.30) NOS3NOS1NOS2
SCHEMBL11960343 0.87 SORD (0.34) NOS3NOS1NOS2ALDH1A1GAA
SCHEMBL11960345 0.87 NOS3 (0.34) NOS3NOS1NOS2ALDH1A1GAA
SCHEMBL22644985 0.87 NOS3 (0.30) NOS3NOS1NOS2
SCHEMBL11960344 0.87 NOS3 (0.34) NOS3NOS1NOS2ALDH1A1GAA
SCHEMBL11960351 0.87 SORD (0.34) NOS3NOS1NOS2ALDH1A1GAA
SCHEMBL15274622 0.87 SORD (0.34) NOS3NOS1NOS2ALDH1A1GAA
SCHEMBL2625482 0.84 NOS3 (0.35) NOS3NOS1NOS2ALDH1A1GAA
SCHEMBL23030957 0.83
SCHEMBL22191949 0.83

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN TAKEDA PHARMACEUTICALS CO (JP) 2024-07-11 US disclosed
US-20240226106-A1 INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES (US) 2024-07-11 US disclosed
US-20240207267-A1 (R)-Glutarimide CRBN Ligands and Methods of Use BEIGENE SWITZERLAND GMBH (CH) 2024-06-27 US disclosed
US-20230357254-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-11-09 US disclosed
US-20230357179-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2023-11-09 US disclosed
US-20230357179-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2023-11-09 US disclosed
US-20230357272-A1 OCTAHYDROPYRAZINODIAZANAPHTHYRIDINE DIONE COMPOUNDS MEDSHINE DISCOVERY INC. (CN) 2023-11-09 US disclosed
US-20230295457-A1 SURFACE TREATMENT LIQUID AND SURFACE TREATMENT METHOD TOKYO OHKA KOGYO CO., LTD. (JP) 2023-09-21 US disclosed
US-20230272143-A1 SURFACE TREATMENT LIQUID AND HYDROPHILIZING TREATMENT METHOD TOKYO OHKA KOGYO CO., LTD. (JP) 2023-08-31 US disclosed
US-11702422-B2 Imidazopyridazines as modulators of IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-07-18 US disclosed
US-20100267634-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-10-21 US disclosed
US-20100168138-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-07-01 US disclosed
US-20090326003-A1 PYRAZOLO (3, 4-B) PYRIDINE DERIVATIVES AS PDE4 INHIBITORS GLAXO GROUP LIMITED (GB) 2009-12-31 US disclosed
US-20090209556-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. 2009-08-20 US disclosed
US-20090118292-A1 such as 2-(3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl)imidazo[1,2-b]pyridazine, used for decreasing the levels of tumor necrosis factors or interleukines; treatment of inflammation, autoimmune diseases, diabetes, atherosclerosis and cancer HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (CN) 2009-05-07 US disclosed
US-7514445-B2 Heteroaryl amines as glycogen synthase kinase 3β inhibitors (GSK3 inhibitors) JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-07 US disclosed
US-20090005399-A1 Substituted Imidazo[2,1-b]thiazole Compounds and Uses Thereof GRUENENTHAL GMBH (DE) 2009-01-01 US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 US disclosed
US-20070191380-A1 KINASE INHIBITOR SCAFFOLDS AND METHODS FOR THEIR PREPARATION IRM LLC (BM) 2007-08-16 US disclosed
US-7176312-B2 Kinase inhibitor scaffolds and methods for their preparation THE SCRIPPS RESEARCH INSTITUTE (US) 2007-02-13 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 (15 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-20230357272-A1 OCTAHYDROPYRAZINODIAZANAPHTHYRIDINE DIONE COMPOUNDS QDPR, SLCO1B3, SLC10A6 NOS3 787/4885NOS1 2883/4885NOS2 1897/4885
US-20090326003-A1 PYRAZOLO (3, 4-B) PYRIDINE DERIVATIVES AS PDE4 INHIBITORS PDE4A, PDE4B, PDE12 NOS3 173/4885NOS1 359/4885NOS2 552/4885
US-20100168138-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS NOS3 1498/4885NOS1 2010/4885NOS2 1992/4885
US-20100267634-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS NOS3 1498/4885NOS1 2010/4885NOS2 1992/4885
US-20230357254-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 IL17A, IL23R, IL15 NOS3 403/4885NOS1 864/4885NOS2 433/4885
US-20090005399-A1 Substituted Imidazo[2,1-b]thiazole Compounds and Uses Thereof GRM5, GRIK5, GRM1 NOS3 4030/4885NOS1 4069/4885NOS2 3600/4885
US-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK5, KLK1 NOS3 2141/4885NOS1 3064/4885NOS2 2940/4885
US-20230357179-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF NOS3 3935/4885NOS1 4188/4885NOS2 4063/4885
US-20240207267-A1 (R)-Glutarimide CRBN Ligands and Methods of Use CRBN, CDR2, CRKL NOS3 4492/4885NOS1 4507/4885NOS2 4343/4885
US-20240226106-A1 INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK5, KLK1 NOS3 1064/4885NOS1 1486/4885NOS2 1634/4885
US-20090118292-A1 such as 2-(3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl)imidazo[1,2-b]pyridazine, used for decreasing the levels of tumor necrosis factors or interleukines; treatment of inflammation, autoimmune diseases, diabetes, atherosclerosis and cancer IL1B, IL1A, IL17A NOS3 288/4885NOS1 128/4885NOS2 157/4885
US-11702422-B2 Imidazopyridazines as modulators of IL-17 IL17A, IL23R, IL15 NOS3 403/4885NOS1 864/4885NOS2 433/4885
US-20090209556-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1B1, GUCY1A2, GUCY1A1 NOS3 77/4885NOS1 60/4885NOS2 84/4885
US-20070191380-A1 KINASE INHIBITOR SCAFFOLDS AND METHODS FOR THEIR PREPARATION MAP2K2, MAP2K1, MAP2K7 NOS3 1464/4885NOS1 1430/4885NOS2 1514/4885
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria CSGALNACT1, MON2, NR2C2 NOS3 3046/4885NOS1 3353/4885NOS2 3250/4885

“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.