SCHEMBL168519

SCHEMBL168519

NC(=O)c1csc(-c2ccccc2)n1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.66
HDAC1 Q13547 1/20 0.66
HDAC8 Q9BY41 1/20 0.66
HDAC6 Q9UBN7 1/20 0.66
TDP1 Q9NUW8 2/20 0.62
ACHE P22303 1/20 0.59
HPGDS O60760 2/20 0.57
TLR7 Q9NYK1 1/20 0.57
MAPT P10636 3/20 0.56
ATM Q13315 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
NPY1R P25929 1/20 0.56
NPY2R P49146 1/20 0.56
CYP2C9 P11712 2/20 0.55
SCN9A Q15858 1/20 0.55
HPGD P15428 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C19 P33261 1/20 0.55

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
SCHEMBL14564378 0.89 CYP2C9 (0.62) HTR2BHDAC1HDAC8HDAC6TDP1
SCHEMBL6202834 0.86 HPGD (0.64) HTR2BHDAC1HDAC8HDAC6ACHE
SCHEMBL352152 0.85 HPGDS (0.73) HDAC1HDAC8HDAC6TDP1ACHE
SCHEMBL27768678 0.85 HDAC1 (0.70) HDAC1HDAC8HDAC6TDP1HPGDS
SCHEMBL1785268 0.84 HTR2B (0.59) HTR2BHDAC1HDAC8HDAC6ACHE
Hydrochloric Acid SCHEMBL6821751 0.84 HPGDS (0.71) HDAC1HDAC8HDAC6TDP1ACHE
SCHEMBL3612948 0.83 HDAC1 (0.59) HTR2BHDAC1HDAC8HDAC6TDP1
SCHEMBL999473 0.83 HDAC1 (0.69) HTR2BHDAC1HDAC8HDAC6ACHE
SCHEMBL10334420 0.83 ALDH1A1 (0.73) HTR2BHDAC1HDAC8HDAC6ACHE
SCHEMBL1249544 0.83 RAB9A (0.66) HTR2BHDAC1HDAC8HDAC6TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2091951-B1 PYRIDO[2,3-B]PYRAZINE AND [1,8]-NAPHTHYRIDINE DERIVATIVES AS ALK AND C-MET INHIBITORS CEPHALON INC (US) 2018-02-28 EP claimed
US-9382197-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-05 US claimed
US-8283367-B2 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2012-10-09 US claimed
EP-1846424-B1 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON INC (US) 2010-01-27 EP claimed
US-7601716-B2 Pyridopyrazines and derivatives thereof as ALK and c-Met inhibitors CEPHALON, INC. (US) 2009-10-13 US claimed
EP-2091951-A2 PYRIDO[2,3-B]PYRAZINE AND[1,8]-NAPHTYRIDINE DERIVATIVES AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2009-08-26 EP claimed
US-7468383-B2 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2008-12-23 US claimed
US-20080032972-A1 Pyridopyrazines and derivatives thereof as alk and c-Met inhibitors CEPHALON, INC. (US) 2008-02-07 US claimed
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP claimed
WO-2007130468-A2 PYRIDO [2, 3-B] PYRAZINE AND [1, 8] -NAPHTHYRIDINE DERIVATIVES AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2007-11-15 WO claimed
EP-1846424-A1 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON, INC. (US) 2007-10-24 EP claimed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US claimed
US-20060189806-A1 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2006-08-24 US claimed
WO-2006086600-A1 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON, INC. (US) 2006-08-17 WO claimed
US-20230271941-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-31 US disclosed
CN-108698992-B 2-cyanoisoindoline derivatives for the treatment of cancer 特殊治疗有限公司 2022-04-19 CN disclosed
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
US-20070167622-A1 [2-(3-chloro-phenyl)-thiazol-4-yl]-(octahydro-quinolin-1-yl)-methanone; azocan-1-yl-[2-(2,3-dichloro-phenyl)-thiazol-4-yl]-methanone; type II diabetes mellitus and metabolic syndrome GILLESPIE PAUL 2007-07-19 US disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US disclosed
US-20060189806-A1 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2006-08-24 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 (6 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-20230271941-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 HTR2B 3364/4885HDAC1 2416/4885HDAC8 1203/4885
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents PYGL, GYS2, AGL HTR2B 4692/4885HDAC1 1233/4885HDAC8 1901/4885
US-20070167622-A1 [2-(3-chloro-phenyl)-thiazol-4-yl]-(octahydro-quinolin-1-yl)-methanone; azocan-1-yl-[2-(2,3-dichloro-phenyl)-thiazol-4-yl]-methanone; type II diabetes mellitus and metabolic syndrome GOT2, PC, CYP11B2 HTR2B 1046/4885HDAC1 1391/4885HDAC8 2917/4885
US-20060189806-A1 Proteasome inhibitors and methods of using the same PSMB11, PSMB5, PSMB6 HTR2B 4313/4885HDAC1 235/4885HDAC8 298/4885
US-20080032972-A1 Pyridopyrazines and derivatives thereof as alk and c-Met inhibitors ALK, MET, RET HTR2B 1137/4885HDAC1 2731/4885HDAC8 4399/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK HTR2B 1659/4885HDAC1 3273/4885HDAC8 3648/4885

“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.