SCHEMBL4404076

SCHEMBL4404076

O=C(NNc1ncc(Br)cn1)c1ccccn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 6/20 0.60
KDM5A P29375 1/20 0.52
KDM4E B2RXH2 5/20 0.50
HTT P42858 5/20 0.50
ALDH1A1 P00352 1/20 0.50
PTGS2 P35354 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 3/20 0.48
OPRK1 P41145 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MITF O75030 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MAPT P10636 2/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 1/20 0.46
CDK5 Q00535 1/20 0.46
PAX8 Q06710 1/20 0.46

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
SCHEMBL28871740 0.80 TLR7 (0.70) TLR7KDM5AKDM4EHTTALDH1A1
SCHEMBL1147702 0.78 KDM4E (0.73) TLR7KDM5AKDM4EHTTALDH1A1
SCHEMBL29945528 0.77 TLR7 (0.57) TLR7KDM5AKDM4EHTTALDH1A1
SCHEMBL28871753 0.77 TLR7 (0.57) TLR7KDM5AKDM4EHTTALDH1A1
SCHEMBL13549561 0.76 KDM4E (0.57) KDM4EHTTALDH1A1SMN1; SMN2LMNA
SCHEMBL23388826 0.76 SMN1; SMN2 (0.61) TLR7KDM5AKDM4EHTTALDH1A1
SCHEMBL28871817 0.76 KDM5A (0.63) TLR7KDM5AKDM4EHTTALDH1A1
SCHEMBL29995352 0.76 SMN1; SMN2 (0.61) TLR7KDM5AKDM4EHTTALDH1A1
SCHEMBL28632791 0.75 TLR7 (1.00) TLR7KDM4EHTTALDH1A1PTGS2
SCHEMBL16758391 0.73 TLR7 (0.57) TLR7KDM4EHTTALDH1A1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11839617-B2 Theramutein modulators HMI Medical Innovations, LLC (US) 2023-12-12 US disclosed
US-20210215671-A1 COMPOUNDS AND METHODS OF IDENTIFYING, SYNTHESIZING, OPTIMIZING AND PROFILING PROTEIN MODULATORS HMI Medical Innovations, LLC 2021-07-15 US disclosed
US-20210215670-A1 COMPOUNDS AND METHODS OF IDENTIFYING, SYNTHESIZING, OPTIMIZING AND PROFILING PROTEIN MODULATORS HMI Medical Innovations, LLC 2021-07-15 US disclosed
US-10955408-B2 Compounds and methods of identifying, synthesizing, optimizing and profiling protein modulators HMI Medical Innovations, LLC (US) 2021-03-23 US disclosed
US-20210015825-A1 THERAMUTEIN MODULATORS HMI Medical Innovations, LLC 2021-01-21 US disclosed
US-20210008077-A1 THERAMUTEIN MODULATORS HMI Medical Innovations, LLC 2021-01-14 US disclosed
US-10806738-B2 Theramutein modulators HMI Medical Innovations, LLC (US) 2020-10-20 US disclosed
US-20200046718-A1 THERAMUTEIN MODULATORS HMI Medical Innovations, LLC 2020-02-13 US disclosed
US-20200049693-A1 COMPOUNDS AND METHODS OF IDENTIFYING, SYNTHESIZING, OPTIMIZING AND PROFILING PROTEIN MODULATORS HMI Medical Innovations, LLC 2020-02-13 US disclosed
US-10471065-B2 Theramutein modulators HMI Medical Innovations, LLC (US) 2019-11-12 US disclosed
US-20100016298-A1 Theramutein modulators HOUSEY GERAD M 2010-01-21 US disclosed
US-20090275070-A1 Compounds and Methods of Identifying, Synthesizing, Optimizing and Profiling Protein Modulators HOUSEY GERARD M 2009-11-05 US disclosed
US-20090275070-A1 Compounds and Methods of Identifying, Synthesizing, Optimizing and Profiling Protein Modulators HOUSEY GERARD M 2009-11-05 US disclosed
US-20080269262-A1 Blocking or activation of endogenous proteins variations rncoded by mutated gees HMI MEDICAL INNOVATIONS, LLC. 2008-10-30 US disclosed
US-20080269262-A1 Blocking or activation of endogenous proteins variations rncoded by mutated gees HMI MEDICAL INNOVATIONS, LLC. 2008-10-30 US disclosed
WO-2008091681-A2 THERAMUTEIN MODULATORS HOUSEY GERARD M (US) 2008-07-31 WO disclosed
WO-2007062213-A2 COMPOUNDS AND METHODS OF IDENTIFYING, SYNTHESIZING, OPTIMIZING AND PROFILING PROTEIN MODULATORS HOUSEY PHARMACEUTICALS INC (US) 2007-05-31 WO disclosed
US-20070111199-A1 Compounds and method of identifying, synthesizing, optimizing and profiling protein modulators HMI Medical Innovations, LLC 2007-05-17 US disclosed
US-20070111199-A1 Compounds and method of identifying, synthesizing, optimizing and profiling protein modulators HMI Medical Innovations, LLC 2007-05-17 US disclosed
WO-2007037898-A2 THERAMUTEIN MODULATORS HOUSEY PHARMACEUTICALS INC (US) 2007-04-05 WO 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 (8 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-20210008077-A1 THERAMUTEIN MODULATORS TSG101, SERPINE1, PLAUR TLR7 4843/4885KDM5A 4434/4885KDM4E 4221/4885
US-20100016298-A1 Theramutein modulators TSG101, SERPINE1, PLAUR TLR7 4843/4885KDM5A 4434/4885KDM4E 4221/4885
US-20210015825-A1 THERAMUTEIN MODULATORS TSG101, SERPINE1, PLAUR TLR7 4843/4885KDM5A 4434/4885KDM4E 4221/4885
US-10806738-B2 Theramutein modulators TSG101, SERPINE1, PLAUR TLR7 4843/4885KDM5A 4434/4885KDM4E 4221/4885
US-10471065-B2 Theramutein modulators TSG101, SERPINE1, PLAUR TLR7 4843/4885KDM5A 4434/4885KDM4E 4221/4885
US-11839617-B2 Theramutein modulators TSG101, SERPINE1, PLAUR TLR7 4843/4885KDM5A 4434/4885KDM4E 4221/4885
US-20200046718-A1 THERAMUTEIN MODULATORS TSG101, SERPINE1, PLAUR TLR7 4843/4885KDM5A 4434/4885KDM4E 4221/4885
US-20080269262-A1 Blocking or activation of endogenous proteins variations rncoded by mutated gees SERBP1, SERPINA6, UBE2V1 TLR7 4828/4885KDM5A 3794/4885KDM4E 4172/4885

“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.