SCHEMBL836827

SCHEMBL836827

CS(=O)(=NC(=O)c1cncc(C#CCCO)c1)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
SAE1 Q9UBE0 1/20 0.42
UBA2 Q9UBT2 1/20 0.42
KDR P35968 14/20 0.39
PDGFRB P09619 9/20 0.39
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL837039 0.91 KDR (0.41) MAPTSAE1UBA2KDRPDGFRB
SCHEMBL835314 0.90 KDR (0.43) MAPTSAE1UBA2KDRPDGFRB
SCHEMBL835404 0.88 KDR (0.44) MAPTSAE1UBA2KDRPDGFRB
SCHEMBL835668 0.86 KDR (0.39) MAPTSAE1UBA2KDRPDGFRB
SCHEMBL837235 0.86 KDR (0.44) MAPTKDRPDGFRBNPC1RAB9A
SCHEMBL14713178 0.85 KDR (0.42) MAPTSAE1UBA2KDRPDGFRB
SCHEMBL834127 0.85 KDR (0.49) MAPTKDRPDGFRB
SCHEMBL834682 0.84 KDR (0.45) KDRPDGFRBALDH1A1LMNAPTGDR2
SCHEMBL834859 0.83 KDR (0.42) MAPTKDRPDGFRBNPC1RAB9A
SCHEMBL834903 0.83 KDR (0.40) MAPTSAE1UBA2KDRPDGFRB

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 8 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-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

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 MAPT 1650/4885SAE1 4032/4885UBA2 2725/4885
US-20120207810-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 MAPT 1650/4885SAE1 4032/4885UBA2 2725/4885
US-20090196906-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 MAPT 1650/4885SAE1 4032/4885UBA2 2725/4885
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS SRC, PTK2B, TYRO3 MAPT 4786/4885SAE1 1900/4885UBA2 1733/4885

“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.