SCHEMBL652235

SCHEMBL652235

Cc1cn(-c2ccc(C(=O)CBr)cc2)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.54
PDE4B Q07343 1/20 0.54
PDE4C Q08493 1/20 0.54
PDE4D Q08499 1/20 0.54
GSK3B P49841 9/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP19A1 P11511 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
PTPN1 P18031 4/20 0.43
CYP2E1 P05181 1/20 0.42
CYP2A6 P11509 1/20 0.42
ALPL P05186 2/20 0.42
PLAA Q9Y263 1/20 0.42
ALPG P10696 1/20 0.41
WNT3A P56704 1/20 0.40
LDLR P01130 1/20 0.40
PCSK9 Q8NBP7 1/20 0.40

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
SCHEMBL8295736 0.86 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DCYP1A2
SCHEMBL8296802 0.82 PTPN1 (0.45) PDE4APDE4BPDE4CPDE4DGSK3B
SCHEMBL653194 0.81 GSK3B (0.42) PDE4APDE4BPDE4CPDE4DGSK3B
SCHEMBL1757226 0.81 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DCYP1A2
SCHEMBL8295724 0.81 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DCYP1A2
SCHEMBL15069904 0.80 ALPL (0.44) PDE4APDE4BPDE4CPDE4DGSK3B
SCHEMBL3712352 0.80 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DCYP1A2
SCHEMBL6626390 0.80 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DCYP1A2
SCHEMBL9726946 0.79 CYP1A2 (0.50) PDE4APDE4BPDE4CPDE4DCYP1A2
SCHEMBL8297462 0.78 USP30 (0.49) GSK3BPTPN1ALPLPLAAALPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9403815-B2 Compounds and uses thereof in modulating levels of various amyloid beta peptide alloforms THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-08-02 US disclosed
US-9403815-B2 Compounds and uses thereof in modulating levels of various amyloid beta peptide alloforms THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-08-02 US disclosed
EP-1628666-B1 COMPOUDS AND USES THEREOF IN MODULATING AMYLOID BETA NEUROGENETIC PHARMACEUTICALS INC (US) 2015-09-23 EP disclosed
EP-1628666-B1 COMPOUDS AND USES THEREOF IN MODULATING AMYLOID BETA NEUROGENETIC PHARMACEUTICALS INC (US) 2015-09-23 EP disclosed
US-20130165416-A1 COMPOUNDS AND USES THEREOF IN MODULATING LEVELS OF VARIOUS AMYLOID BETA PEPTIDE ALLOFORMS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2013-06-27 US disclosed
US-20130165416-A1 COMPOUNDS AND USES THEREOF IN MODULATING LEVELS OF VARIOUS AMYLOID BETA PEPTIDE ALLOFORMS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2013-06-27 US disclosed
US-8119680-B2 α-Haloketone derivatives of imidazolyl-substituted aromatic compounds and compounds prepared therefrom NEUROGENETIC PHARMACEUTICALS, INC. (US) 2012-02-21 US disclosed
US-8119680-B2 α-Haloketone derivatives of imidazolyl-substituted aromatic compounds and compounds prepared therefrom NEUROGENETIC PHARMACEUTICALS, INC. (US) 2012-02-21 US disclosed
US-8119680-B2 α-Haloketone derivatives of imidazolyl-substituted aromatic compounds and compounds prepared therefrom NEUROGENETIC PHARMACEUTICALS, INC. (US) 2012-02-21 US disclosed
US-8017629-B2 Compounds and uses thereof in modulating amyloid β NEUROGENETIC PHARMACEUTICALS, INC. (US) 2011-09-13 US disclosed
US-20070260058-A1 Compounds and Uses Thereof in Modulating Amyloid Beta TORREYPINES THERAPEUTICS INC. 2007-11-08 US disclosed
US-20070260058-A1 Compounds and Uses Thereof in Modulating Amyloid Beta TORREYPINES THERAPEUTICS INC. 2007-11-08 US disclosed
US-20070249833-A1 such as 2-bromo-1-[6-(4-methyl-imidazole-1-yl)-pyridin-3-yl]-ethanone, which have activity in modulating levels of amyloid-beta, useful in the treatment of neurodegenerative diseases, such as Alzheimer's disease TORREYPINES THERAPEUTICS INC. 2007-10-25 US disclosed
US-20070249833-A1 such as 2-bromo-1-[6-(4-methyl-imidazole-1-yl)-pyridin-3-yl]-ethanone, which have activity in modulating levels of amyloid-beta, useful in the treatment of neurodegenerative diseases, such as Alzheimer's disease TORREYPINES THERAPEUTICS INC. 2007-10-25 US disclosed
US-20070249833-A1 such as 2-bromo-1-[6-(4-methyl-imidazole-1-yl)-pyridin-3-yl]-ethanone, which have activity in modulating levels of amyloid-beta, useful in the treatment of neurodegenerative diseases, such as Alzheimer's disease TORREYPINES THERAPEUTICS INC. 2007-10-25 US disclosed
US-7244739-B2 Compounds and uses thereof in modulating amyloid beta TORREYPINES THERAPEUTICS, INC. (US) 2007-07-17 US disclosed
US-7244739-B2 Compounds and uses thereof in modulating amyloid beta TORREYPINES THERAPEUTICS, INC. (US) 2007-07-17 US disclosed
US-7244739-B2 Compounds and uses thereof in modulating amyloid beta TORREYPINES THERAPEUTICS, INC. (US) 2007-07-17 US disclosed
US-20050070538-A1 Compounds and uses thereof in modulating amyloid beta SIROCCO THERAPEUTICS, INC. 2005-03-31 US disclosed
WO-2004110350-A2 COMPOUDS AND USES THEREOF IN MODULATING AMYLOID BETA TORREYPINES THERAPEUTICS, INC. (US) 2004-12-23 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 (4 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-20070260058-A1 Compounds and Uses Thereof in Modulating Amyloid Beta APP, BACE1, BACE2 PDE4A 279/4885PDE4B 200/4885PDE4C 284/4885
US-20130165416-A1 COMPOUNDS AND USES THEREOF IN MODULATING LEVELS OF VARIOUS AMYLOID BETA PEPTIDE ALLOFORMS IAPP, APP, BACE1 PDE4A 791/4885PDE4B 627/4885PDE4C 843/4885
US-20050070538-A1 Compounds and uses thereof in modulating amyloid beta APP, BACE1, BACE2 PDE4A 279/4885PDE4B 200/4885PDE4C 284/4885
US-20070249833-A1 such as 2-bromo-1-[6-(4-methyl-imidazole-1-yl)-pyridin-3-yl]-ethanone, which have activity in modulating levels of amyloid-beta, useful in the treatment of neurodegenerative diseases, such as Alzheimer's disease PSEN2, APP, BACE1 PDE4A 491/4885PDE4B 508/4885PDE4C 810/4885

“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.