SCHEMBL1019111

SCHEMBL1019111

COc1cccc(Cc2nsc(Cl)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.46
IDO1 P14902 2/20 0.45
AGXT P21549 2/20 0.45
LTA4H P09960 1/20 0.45
DHFR P00374 1/20 0.45
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
HTR1B P28222 1/20 0.44
TAAR1 Q96RJ0 3/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
PKM P14618 1/20 0.42
ADCY10 Q96PN6 1/20 0.42
NMT1 P30419 2/20 0.41
LTB4R Q15722 1/20 0.41

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
SCHEMBL13088187 0.84 HTR6 (0.47) HTR6IDO1AGXTLTA4HDHFR
SCHEMBL14736517 0.83 LTA4H (0.54) HTR6IDO1AGXTLTA4HDHFR
SCHEMBL1020013 0.82 MAPT (0.49) HTR6LTA4HLMNAHPGDTSHR
SCHEMBL1019836 0.81 HTR6 (0.43) HTR6IDO1LTA4HTAAR1MEN1
SCHEMBL13718724 0.79 NPC1 (0.54) MEN1LMNAHTTKMT2ANMT1
SCHEMBL13717864 0.78 DYRK1A (0.49) MEN1LMNAHPGDHTTKMT2A
SCHEMBL1020424 0.78 HTR6 (0.42) HTR6IDO1AGXTTAAR1LMNA
SCHEMBL13717964 0.77 NPC1 (0.54) HTR6MEN1LMNAHTTKMT2A
SCHEMBL1020914 0.77 CHRM2 (0.51) HTR6IDO1AGXTLTA4HDHFR
SCHEMBL13718242 0.76 CLK4 (0.51) MEN1HPGDKMT2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160289211-A1 CERTAIN HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE CYTOKINETICS INC (US) 2016-10-06 US disclosed
US-20160289211-A1 CERTAIN HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE CYTOKINETICS INC (US) 2016-10-06 US disclosed
US-9278962-B2 Certain heterocycles, compositions thereof, and methods for their use CYTOKINETICS, INC. (US) 2016-03-08 US disclosed
US-9278962-B2 Certain heterocycles, compositions thereof, and methods for their use CYTOKINETICS, INC. (US) 2016-03-08 US disclosed
US-20140330011-A1 CERTAIN HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE CYTOKINETICS, INC (US) 2014-11-06 US disclosed
US-20140330011-A1 CERTAIN HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE CYTOKINETICS, INC (US) 2014-11-06 US disclosed
US-8759380-B2 Certain heterocycles, compositions thereof, and methods for their use CYTOKINETICS, INC. (US) 2014-06-24 US disclosed
US-8759380-B2 Certain heterocycles, compositions thereof, and methods for their use CYTOKINETICS, INC. (US) 2014-06-24 US disclosed
US-8541406-B2 Thiadiazole derivatives for the treatment of neurodegenerative diseases NV REMYND (BE) 2013-09-24 US disclosed
US-8541406-B2 Thiadiazole derivatives for the treatment of neurodegenerative diseases NV REMYND (BE) 2013-09-24 US disclosed
EP-2094677-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV Remynd (BE) 2009-09-02 EP disclosed
CN-101378757-A Thiadiazole derivatives for the treatment of neuro degenerative diseases REMYND NV (BE) 2009-03-04 CN disclosed
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-26 US disclosed
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-26 US disclosed
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-26 US disclosed
EP-1981504-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES NV Remynd (BE) 2008-10-22 EP disclosed
WO-2008061781-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2008-05-29 WO disclosed
WO-2008061781-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2008-05-29 WO disclosed
WO-2007090617-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES NV REMYND (BE) 2007-08-16 WO disclosed
WO-2007090617-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES NV REMYND (BE) 2007-08-16 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 (3 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-20140330011-A1 CERTAIN HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE F12, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ZYX HTR6 2240/4885IDO1 1923/4885AGXT 2059/4885
US-20160289211-A1 CERTAIN HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE F12, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1S HTR6 1452/4885IDO1 1558/4885AGXT 2720/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 HTR6 2304/4885IDO1 1637/4885AGXT 3872/4885

“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.