SCHEMBL2827765

SCHEMBL2827765

Nc1ccc(-c2cccs2)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.56
KCNH2 Q12809 1/20 0.55
CYP3A4 P08684 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2E1 P05181 1/20 0.52
CYP2A6 P11509 1/20 0.52
CYP2B6 P20813 1/20 0.52
LTA4H P09960 1/20 0.52
CHEK1 O14757 1/20 0.50
CHEK2 O96017 1/20 0.50
MAP4K4 O95819 1/20 0.48
PIK3CD O00329 2/20 0.48
DYRK1A Q13627 1/20 0.46
DYRK1B Q9Y463 1/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP17A1 P05093 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
TDO2 P48775 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
SCHEMBL5499265 0.83 CYP3A4 (0.52) FYNKCNH2CYP3A4CYP2C9CYP2E1
SCHEMBL13917342 0.81 CYP2C9 (0.53) FYNKCNH2CYP3A4CYP2C9CYP2E1
SCHEMBL10408880 0.79 KDM4E (0.52) FYNKCNH2CYP3A4CYP2C9CYP2E1
SCHEMBL14088054 0.78 CYP2C9 (0.55) KCNH2CYP3A4CYP2C9CYP2E1CYP2A6
SCHEMBL3398924 0.78 CYP2A6 (0.52) KCNH2CYP3A4CYP2C9CYP2E1CYP2A6
SCHEMBL8659326 0.78 PIK3CD (0.52) KCNH2CYP3A4CYP2C9CYP2E1CYP2A6
SCHEMBL13978614 0.78 CYP2C9 (0.50) FYNKCNH2CYP3A4CYP2C9CYP2E1
SCHEMBL1701865 0.77 FYN (0.43) FYNCHEK1CHEK2KDM4EALDH1A1
SCHEMBL5501090 0.77 CYP2C9 (0.53) KCNH2CYP3A4CYP2C9CYP2E1CYP2A6
SCHEMBL338810 0.77 LTA4H (0.70) KCNH2CYP3A4CYP2C9CYP2E1CYP2A6

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541406-B2 Thiadiazole derivatives for the treatment of neurodegenerative diseases NV REMYND (BE) 2013-09-24 US disclosed
EP-1742634-B1 POLYCYCLIC PYRIMIDINES AS POTASSIUM ION CHANNEL MODULATORS ICAGEN INC (US) 2010-10-27 EP disclosed
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2010-10-14 US disclosed
EP-1742935-B1 POLYCYCLIC PYRAZINES AS POTASSIUM ION CHANNEL MODULATORS ICAGEN INC (US) 2010-02-24 EP disclosed
US-7642354-B2 Use treating nervous system disorders, as neuroprotectants, gastrointestinal disorders, cardiovascular disorders; e.g. 2-(5-phenylpyridin-2-ylamino)-6-pyridin-2-ylpyrimidine ICAGEN, INC. (US) 2010-01-05 US disclosed
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-09-17 US disclosed
US-7560464-B2 Polycyclic pyrimidines as potassium ion channel modulators ICAGEN, INC. (US) 2009-07-14 US disclosed
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-26 US disclosed
US-20080108600-A1 Polycyclic Pyridines as Potassium Ion Channel Modulators ICAGEN, INC. (US) 2008-05-08 US disclosed
EP-1742634-A1 POLYCYCLIC PYRIMIDINES AS POTASSIUM ION CHANNEL MODULATORS ICAgen, Incorporated (US) 2007-01-17 EP disclosed
EP-1742935-A1 POLYCYCLIC PYRAZINES AS POTASSIUM ION CHANNEL MODULATORS Icagen, Inc. (US) 2007-01-17 EP disclosed
EP-1740155-A1 POLYCYLIC THIAZOLES AS POTASSIUM ION CHANNEL MODULATORS Icagen, Inc. (US) 2007-01-10 EP disclosed
EP-1737852-A2 POLYCYCLIC PYRIDINES AS POTASSIUM ION CHANNEL MODULATORS Icagen, Inc. (US) 2007-01-03 EP disclosed
WO-2005121126-A1 POLYCYCLIC PYRAZINES AS POTASSIUM ION CHANNEL MODULATORS ICAGEN, INC. (US) 2005-12-22 WO disclosed
US-20050267089-A1 Polycyclic pyrimidines as potassium ion channel modulators ICAGEN, INC. (US) 2005-12-01 US disclosed
WO-2005099673-A1 POLYCYLIC THIAZOLES AS POTASSIUM ION CHANNEL MODULATORS ICAGEN, INC. (US) 2005-10-27 WO disclosed
WO-2005099711-A1 POLYCYCLIC PYRIMIDINES AS POTASSIUM ION CHANNEL MODULATORS ICAGEN, INC. (US) 2005-10-27 WO disclosed
WO-2005100349-A2 POLYCYCLIC PYRIDINES AS POTASSIUM ION CHANNEL MODULATORS ICAGEN, INC. (US) 2005-10-27 WO disclosed
US-20050239800-A1 Polycyclic pyrazines as potassium ion channel modulators ICAGEN, INC. (US) 2005-10-27 US disclosed
US-20050227989-A1 Polycyclic thiazoles as potassium ion channel modulators ICAGEN, INC. (US) 2005-10-13 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 (7 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-20050267089-A1 Polycyclic pyrimidines as potassium ion channel modulators KCNJ2, KCNJ1, KCNJ11 FYN 2544/4885KCNH2 4/4885CYP3A4 2860/4885
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 FYN 1203/4885KCNH2 4543/4885CYP3A4 3900/4885
US-20080108600-A1 Polycyclic Pyridines as Potassium Ion Channel Modulators KCNJ2, KCNH2, KCNQ1 FYN 2863/4885KCNH2 2/4885CYP3A4 1652/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 FYN 1203/4885KCNH2 4543/4885CYP3A4 3900/4885
US-20050227989-A1 Polycyclic thiazoles as potassium ion channel modulators KCNJ2, KCNA3, KCNN3 FYN 3997/4885KCNH2 11/4885CYP3A4 2934/4885
US-20050239800-A1 Polycyclic pyrazines as potassium ion channel modulators KCNJ2, KCNH2, KCNJ1 FYN 3563/4885KCNH2 2/4885CYP3A4 2769/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 FYN 1203/4885KCNH2 4543/4885CYP3A4 3900/4885

“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.