SCHEMBL832779

SCHEMBL832779

COc1ccc(S(C)(=O)=NC(=O)c2cncc(C#Cc3ccccn3)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.56
KDR P35968 6/20 0.42
PDGFRB P09619 5/20 0.42
POLB P06746 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
SLC7A11 Q9UPY5 1/20 0.37
F2 P00734 1/20 0.36

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
SCHEMBL833586 0.91 GRM5 (0.54) GRM5KDRPDGFRBMAPT
SCHEMBL834510 0.90 GRM5 (0.48) GRM5KDRPDGFRBSLC7A11
SCHEMBL835521 0.89 KDR (0.52) GRM5KDRPDGFRB
SCHEMBL835432 0.89 GRM5 (0.49) GRM5KDRPDGFRBPOLBTDP1
SCHEMBL834971 0.89 GRM5 (0.45) GRM5KDRPDGFRB
SCHEMBL833476 0.88 KDR (0.48) KDRPDGFRBGAAMAPT
SCHEMBL834278 0.87 KDR (0.44) GRM5KDRPDGFRBF2
SCHEMBL836298 0.87 KDR (0.45) KDRPDGFRB
SCHEMBL832578 0.86 KDR (0.46) KDRPDGFRBPOLBGAAMAPT
SCHEMBL834067 0.86 KDR (0.51) KDRPDGFRBMAPT

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 GRM5 1658/4885KDR 51/4885PDGFRB 368/4885
US-20120207810-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 GRM5 1658/4885KDR 51/4885PDGFRB 368/4885
US-20090196906-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 GRM5 1658/4885KDR 51/4885PDGFRB 368/4885
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS SRC, PTK2B, TYRO3 GRM5 1448/4885KDR 321/4885PDGFRB 409/4885

“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.