SCHEMBL720796

SCHEMBL720796

C=CC(N)Nc1cccc(Nc2nccs2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 1/20 0.45
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
ALDH1A1 P00352 4/20 0.39
TDP1 Q9NUW8 2/20 0.39
AURKA O14965 3/20 0.39
AURKB Q96GD4 1/20 0.39
CYP1A2 P05177 4/20 0.38
CYP1A1 P04798 3/20 0.38
CYP1B1 Q16678 3/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
LMNA P02545 3/20 0.38
MAPT P10636 3/20 0.38
GAA P10253 3/20 0.37
HPGD P15428 1/20 0.37
AKT1 P31749 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37

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
SCHEMBL8906815 0.82 PLA2G7 (0.59) PLA2G7KCNK3KCNK9ALDH1A1TDP1
SCHEMBL715948 0.75 PLA2G7 (0.52) PLA2G7KCNK3KCNK9ALDH1A1TDP1
SCHEMBL27675533 0.74 PLA2G7 (0.49) PLA2G7KCNK3KCNK9ALDH1A1TDP1
SCHEMBL716169 0.73 NPC1 (0.56) PLA2G7KCNK3KCNK9ALDH1A1TDP1
SCHEMBL4934839 0.73 FADS1 (0.31)
SCHEMBL3042388 0.72 MBD2 (0.55) PLA2G7KCNK3KCNK9ALDH1A1TDP1
SCHEMBL4238370 0.72 PLA2G7 (0.60) PLA2G7ALDH1A1CYP1A2CYP1A1CYP1B1
SCHEMBL3956903 0.72 MEN1 (0.65) PLA2G7ALDH1A1TDP1CYP1A2CYP1A1
SCHEMBL6431056 0.72 PLA2G7 (0.44) PLA2G7KCNK3KCNK9ALDH1A1TDP1
SCHEMBL14058615 0.70 PLA2G7 (0.51) PLA2G7ALDH1A1AURKACYP1A2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993573-B2 2-(3-aminoaryl) amino-4-aryl-thiazoles and their use as c-kit inhibitors AB SCIENCE (FR) 2015-03-31 US disclosed
US-8835435-B2 2-(3-aminoaryl) amino-4-aryl-thiazoles and their use as c-kit inhibitors AB SCIENCE (FR) 2014-09-16 US disclosed
US-20140088108-A1 2-(3-AMINOARYL) AMINO-4-ARYL-THIAZOLES AND THEIR USE AS C-KIT INHIBITIORS AB SCIENCE (FR) 2014-03-27 US disclosed
US-8450302-B2 2-(3-aminoaryl) amino-4-aryl-thiazoles and their use as c-kit inhibitors AB SCIENCE (FR) 2013-05-28 US disclosed
US-20120053186-A1 2-(3-AMINOARYL) AMINO-4-ARYL-THIAZOLES AND THEIR USE AS C-KIT INHIBITORS AB SCIENCE (FR) 2012-03-01 US disclosed
US-20110201620-A1 2-(3-AMINOARYL) AMINO-4-ARYL-THIAZOLES AND THEIR USE AS C-KIT INHIBITORS AB SCIENCE (FR) 2011-08-18 US disclosed
US-20080255141-A1 Modulators of signal transduction mediated by certain native and/or mutant tyrosine kinases; antiproliferative, anticarcinogenic, antiallergen, and antiinflammatory agents; metabolic and neurodegenerative disorders AB SCIENCE 2008-10-16 US disclosed
US-7423055-B2 e.g., 2-(2-methyl-5-amino)phenyl-4-(3-pyridyl)-thiazole; c-kit inhibitors; treating cell proliferative, metabolic, allergic, and degenerative disorders. AB SCIENCE (FR) 2008-09-09 US disclosed
US-20080004279-A1 Use of C-Kit Inhibitors for Treating Plasmodium Related Diseases AB SCIENCE (FR) 2008-01-03 US disclosed
US-20070249628-A1 Use of Mast Cells Inhibitors for Treating Patients Exposed to Chemical or Biological Weapons MOUSSY ALAIN 2007-10-25 US disclosed
US-20070225293-A1 Use of C-Kit Inhibitors for Treating Fibrosis AB SCIENCE 2007-09-27 US disclosed
US-20070191267-A1 Use of tyrosine kinase inhibitors for treating cerebral ischemia AB SCIENCE 2007-08-16 US disclosed
US-20050239852-A1 2-(3-aminoaryl)amino-4-aryl-thiazoles and their use as c-kit inhibitors AB SCIENCE (FR) 2005-10-27 US disclosed
US-20040110810-A1 e.g., 2-(2-methyl-5-amino)phenyl-4-(3-pyridyl)-thiazole; c-kit inhibitors; treating cell proliferative, metabolic, allergic, and degenerative disorders. AB SCIENCE 2004-06-10 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 (10 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-20070225293-A1 Use of C-Kit Inhibitors for Treating Fibrosis KIT, CPA3, CMA1 PLA2G7 1430/4885KCNK3 480/4885KCNK9 1444/4885
US-20120053186-A1 2-(3-AMINOARYL) AMINO-4-ARYL-THIAZOLES AND THEIR USE AS C-KIT INHIBITORS KIT, CHUK, MAP3K2 PLA2G7 1900/4885KCNK3 1063/4885KCNK9 1376/4885
US-20110201620-A1 2-(3-AMINOARYL) AMINO-4-ARYL-THIAZOLES AND THEIR USE AS C-KIT INHIBITORS KIT, ABL1, MUSK PLA2G7 3247/4885KCNK3 263/4885KCNK9 549/4885
US-20080004279-A1 Use of C-Kit Inhibitors for Treating Plasmodium Related Diseases KIT, JAK3, MAP3K3 PLA2G7 2684/4885KCNK3 365/4885KCNK9 1174/4885
US-20040110810-A1 e.g., 2-(2-methyl-5-amino)phenyl-4-(3-pyridyl)-thiazole; c-kit inhibitors; treating cell proliferative, metabolic, allergic, and degenerative disorders. KIT, MAP3K2, CMA1 PLA2G7 1317/4885KCNK3 751/4885KCNK9 917/4885
US-20070249628-A1 Use of Mast Cells Inhibitors for Treating Patients Exposed to Chemical or Biological Weapons KIT, CPA3, CMA1 PLA2G7 941/4885KCNK3 651/4885KCNK9 1596/4885
US-20070191267-A1 Use of tyrosine kinase inhibitors for treating cerebral ischemia KIT, MAST3, CPA3 PLA2G7 920/4885KCNK3 508/4885KCNK9 1336/4885
US-20140088108-A1 2-(3-AMINOARYL) AMINO-4-ARYL-THIAZOLES AND THEIR USE AS C-KIT INHIBITIORS KIT, CHUK, CKS1B PLA2G7 2124/4885KCNK3 959/4885KCNK9 1240/4885
US-20050239852-A1 2-(3-aminoaryl)amino-4-aryl-thiazoles and their use as c-kit inhibitors KIT, CHUK, MAP3K2 PLA2G7 2034/4885KCNK3 1015/4885KCNK9 1333/4885
US-20080255141-A1 Modulators of signal transduction mediated by certain native and/or mutant tyrosine kinases; antiproliferative, anticarcinogenic, antiallergen, and antiinflammatory agents; metabolic and neurodegenerative disorders KIT, MAP3K1, MAP3K6 PLA2G7 1237/4885KCNK3 1787/4885KCNK9 2432/4885

“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.