SCHEMBL798511

SCHEMBL798511

CC(C)c1ccc2nc(C(C)C)cn2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.45
SCN10A Q9Y5Y9 1/20 0.41
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PAX8 Q06710 2/20 0.34
MEN1 O00255 1/20 0.34
MITF O75030 1/20 0.34
KDM5A P29375 1/20 0.34
KDM5C P41229 1/20 0.34
NOTUM Q6P988 2/20 0.33
TP53 P04637 3/20 0.33
ALDH1A3 P47895 3/20 0.33
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
CDK5 Q00535 1/20 0.32

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
SCHEMBL23571668 0.84 MCHR1 (0.38) MCHR1SCN10ANPC1RAB9AKDM4E
SCHEMBL23571590 0.83 MCHR1 (0.38) MCHR1SCN10AAPP
SCHEMBL10022336 0.82 NPC1 (0.52) MCHR1SCN10ANPC1RAB9AKDM4E
SCHEMBL12729862 0.81 MCHR1 (0.39) MCHR1SCN10ANPC1RAB9AKDM4E
SCHEMBL23502136 0.80 SCN10A (0.62) MCHR1SCN10ANPC1RAB9AKDM4E
SCHEMBL14701750 0.79 MCHR1 (0.41) MCHR1SCN10ANPC1RAB9AKDM4E
SCHEMBL22479121 0.79 NPC1 (0.33) MCHR1SCN10ANPC1RAB9AKDM4E
SCHEMBL12197120 0.79 APP (0.46) MCHR1SCN10ANPC1RAB9AKDM4E
SCHEMBL16386820 0.79 RAB9A (0.51) MCHR1NPC1RAB9AKDM4EALDH1A1
SCHEMBL1500198 0.79 PIK3CG (0.55) MCHR1SCN10ANPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242534-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-08-03 US disclosed
US-20230159573-A1 SMALL MOLECULE STAT PROTEIN DEGRADERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-25 US disclosed
US-20230151001-A9 IMIDAZOPYRIDINE DERIVATIVES AND AZA-IMIDAZOPYRIDINE DERIVATIVES AS JANUS KINASE 2 INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-05-18 US disclosed
US-20230149414-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-05-18 US disclosed
US-20230133504-A1 METHOD OF TREATING GRAFT-VERSUS-HOST DISEASE REGENTS OF THE UNIVERSITY OF MICHIGAN 2023-05-04 US disclosed
US-20230051773-A1 TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF AXIAL THERAPEUTICS, INC. (US) 2023-02-16 US disclosed
US-20220389008-A1 4-QUINOLINONE ANTIBACTERIAL COMPOUNDS Janssen Sciences Ireland Unlimited Company (IE) 2022-12-08 US disclosed
WO-2020205467-A1 STAT3 PROTEIN DEGRADERS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-10-08 WO disclosed
US-10407421-B2 Bicyclic aryl monobactam compounds and methods of use thereof for the treatment of bacterial infections MERCK SHARP & DOHME CORP (US) 2019-09-10 US disclosed
US-20190071436-A1 BICYCLIC ARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME CORP. (US) 2019-03-07 US disclosed
US-20170014533-A1 DENDRONIZED METALLIC OXIDE NANOPARTICLES, A PROCESS FOR PREPARING THE SAME AND THEIR USES UNIVERSITE CLAUDE BERNARD LYON 1 (FR) 2017-01-19 US disclosed
US-20150299123-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN MA INC. 2015-10-22 US disclosed
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 US disclosed
US-20110212940-A1 S1P Receptor Modulating Compounds and Use Thereof EPIX PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
US-7919519-B2 1-(4-(5-Phenylbenzofuran-2-yl)benzyl)azetidine-3-carboxylic acids; anticarcinogenic, antiinflammatory, antiarthritic, antidiabetic agents; transplant rejection, autoimmune diseases, lupus, multiple sclerosis, psoriasis, inflammatory bowel disease, Chron's disease EPIX PHARMACEUTICALS INC. (US) 2011-04-05 US disclosed
US-20100261679-A1 CSF-1R, Inhibitors, Compositions, and Methods of Use NOVARTIS AG (CH) 2010-10-14 US disclosed
US-20090264426-A1 Bicyclic aromatic substituted pyridone derivative MSD K.K. (JP) 2009-10-22 US disclosed
US-20090264426-A1 Bicyclic aromatic substituted pyridone derivative MSD K.K. (JP) 2009-10-22 US disclosed
US-20080249130-A1 Gut microsomal triglyceride transport protein inhibitors SIRTRIS PHARMACEUTICALS, INC. (US) 2008-10-09 US disclosed
US-20080027036-A1 S1P receptor modulating compounds and use thereof EPIX DELAWARE, INC. (US) 2008-01-31 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 (17 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-20080027036-A1 S1P receptor modulating compounds and use thereof S1PR1, S1PR5, S1PR2 MCHR1 118/4885SCN10A 3528/4885NPC1 2641/4885
US-10407421-B2 Bicyclic aryl monobactam compounds and methods of use thereof for the treatment of bacterial infections MGAM, BMX, XDH MCHR1 2116/4885SCN10A 2590/4885NPC1 1483/4885
US-20150299123-A1 S1P AND/OR ATX MODULATING AGENTS ENPP2, S1PR1, S1PR2 MCHR1 682/4885SCN10A 294/4885NPC1 1600/4885
US-20230149414-A1 COMPOUNDS AND USES THEREOF VHL, CLN6, TFEB MCHR1 4611/4885SCN10A 2473/4885NPC1 138/4885
US-20230051773-A1 TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF TLR2, TLR3, TLR4 MCHR1 2606/4885SCN10A 3330/4885NPC1 1746/4885
US-20230151001-A9 IMIDAZOPYRIDINE DERIVATIVES AND AZA-IMIDAZOPYRIDINE DERIVATIVES AS JANUS KINASE 2 INHIBITORS AND USES THEREOF JAK1, JAK2, JAK3 MCHR1 2325/4885SCN10A 4016/4885NPC1 3221/4885
US-20110212940-A1 S1P Receptor Modulating Compounds and Use Thereof S1PR1, S1PR5, S1PR2 MCHR1 118/4885SCN10A 3528/4885NPC1 2641/4885
US-20230242534-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 AND USES THEREOF CDK2, CDK5, CDK9 MCHR1 1527/4885SCN10A 3783/4885NPC1 4793/4885
US-20100261679-A1 CSF-1R, Inhibitors, Compositions, and Methods of Use CSF1R, CSF3R, MSR1 MCHR1 982/4885SCN10A 4197/4885NPC1 2134/4885
US-20080249130-A1 Gut microsomal triglyceride transport protein inhibitors MTTP, CETP, FABP2 MCHR1 3244/4885SCN10A 2693/4885NPC1 37/4885
US-20170014533-A1 DENDRONIZED METALLIC OXIDE NANOPARTICLES, A PROCESS FOR PREPARING THE SAME AND THEIR USES NOXO1, DSTN, NOX3 MCHR1 2627/4885SCN10A 1914/4885NPC1 2623/4885
US-20230133504-A1 METHOD OF TREATING GRAFT-VERSUS-HOST DISEASE HLA-DRB1, CD74, HLA-C MCHR1 3966/4885SCN10A 4650/4885NPC1 952/4885
US-20230159573-A1 SMALL MOLECULE STAT PROTEIN DEGRADERS STAT1, STAT3, STAT5A MCHR1 1598/4885SCN10A 2863/4885NPC1 4078/4885
US-20190071436-A1 BICYCLIC ARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS MGAM, BMX, XDH MCHR1 2116/4885SCN10A 2590/4885NPC1 1483/4885
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY MTOR, STAT3, SLC14A1 MCHR1 4806/4885SCN10A 4120/4885NPC1 1283/4885
US-20090264426-A1 Bicyclic aromatic substituted pyridone derivative PYCR1, CHRM1, MTR MCHR1 357/4885SCN10A 3601/4885NPC1 3130/4885
US-20220389008-A1 4-QUINOLINONE ANTIBACTERIAL COMPOUNDS NQO2, NDUFS3, QARS1 MCHR1 4702/4885SCN10A 4198/4885NPC1 1916/4885

“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.