SCHEMBL834778

SCHEMBL834778

C#Cc1cccc(NC(=O)c2cccs2)c1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.65
MAPT P10636 3/20 0.65
KCNK3 O14649 2/20 0.63
KCNK9 Q9NPC2 2/20 0.63
KMT2A Q03164 7/20 0.61
MEN1 O00255 6/20 0.61
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
TDP1 Q9NUW8 1/20 0.61
USP2 O75604 1/20 0.56
GAA P10253 1/20 0.56
ALOX15 P16050 1/20 0.56
MAPK1 P28482 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
POLB P06746 1/20 0.55
HTT P42858 1/20 0.55
ALDH1A1 P00352 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
SCHEMBL28844966 0.87 KMT2A (0.65) SMN1; SMN2MAPTKCNK3KCNK9KMT2A
SCHEMBL29732825 0.87 KMT2A (0.65) SMN1; SMN2MAPTKCNK3KCNK9KMT2A
SCHEMBL23011772 0.86 KCNK3 (0.82) SMN1; SMN2MAPTKCNK3KCNK9KMT2A
SCHEMBL836124 0.83 NPC1 (0.77) SMN1; SMN2MAPTKMT2AMEN1NPC1
SCHEMBL7131317 0.82 MAPT (0.43) SMN1; SMN2MAPTKCNK3KCNK9KMT2A
SCHEMBL22627078 0.80 MEN1 (0.61) MAPTKCNK3KCNK9KMT2AMEN1
SCHEMBL2529744 0.79 LMNA (0.69) SMN1; SMN2MAPTKCNK3KCNK9KMT2A
SCHEMBL29684523 0.79 KMT2A (0.74) SMN1; SMN2MAPTKCNK3KCNK9KMT2A
SCHEMBL13874759 0.79 MAPT (1.00) SMN1; SMN2MAPTKCNK3KCNK9KMT2A
SCHEMBL12496157 0.79 KCNK3 (0.82) SMN1; SMN2MAPTKCNK3KCNK9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2099757-B1 SULFOXIMINES AS KINASE INHIBITORS ALLERGAN INC (US) 2014-06-25 EP disclosed
US-8383825-B2 Kinase inhibitors ALLERGAN, INC. (US) 2013-02-26 US disclosed
US-20120207810-A1 Kinase Inhibitors SPADA LON T (US) 2012-08-16 US disclosed
US-8143410-B2 Kinase inhibitors ALLERGAN, INC. (US) 2012-03-27 US disclosed
US-20110263611-A1 Kinase Inhibitors ALLERGAN, INC. 2011-10-27 US disclosed
US-7915443-B2 Sulfoximines as kinase inhibitors ALLERGAN, INC. (US) 2011-03-29 US disclosed
US-7915443-B2 Sulfoximines as kinase inhibitors ALLERGAN, INC. (US) 2011-03-29 US disclosed
US-7915443-B2 Sulfoximines as kinase inhibitors ALLERGAN, INC. (US) 2011-03-29 US disclosed
WO-2010078393-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2010-07-08 WO disclosed
EP-2099757-A2 SULFOXIMINES AS KINASE INHIBITORS Allergan, Inc. (US) 2009-09-16 EP disclosed
US-20090196906-A1 Kinase inhibitors ALLERGAN, INC. 2009-08-06 US disclosed
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS ALLERGAN, INC. 2009-04-16 US disclosed
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS ALLERGAN, INC. 2009-04-16 US disclosed
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS ALLERGAN, INC. 2009-04-16 US disclosed
WO-2008061236-A2 SULFOXIMINES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2008-05-22 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-20110263611-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 SMN1; SMN2 4781/4885MAPT 1650/4885KCNK3 1769/4885
US-20120207810-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 SMN1; SMN2 4781/4885MAPT 1650/4885KCNK3 1769/4885
US-20090196906-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 SMN1; SMN2 4781/4885MAPT 1650/4885KCNK3 1769/4885
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS SRC, PTK2B, TYRO3 SMN1; SMN2 4303/4885MAPT 4786/4885KCNK3 2395/4885

“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.