SCHEMBL836720

SCHEMBL836720

CC(=O)Nc1ccc(S(C)(=O)=NC(=O)c2cncc(C#Cc3ccccn3)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.50
PDGFRB P09619 8/20 0.50
KDM4E B2RXH2 2/20 0.44
GRM5 P41594 5/20 0.42
ATM Q13315 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL833935 0.91 KDR (0.51) KDRPDGFRBGRM5
SCHEMBL14713183 0.89 KDR (0.57) KDRPDGFRBKDM4EALDH1A1
SCHEMBL834510 0.89 GRM5 (0.48) KDRPDGFRBGRM5
SCHEMBL835521 0.88 KDR (0.52) KDRPDGFRBGRM5
SCHEMBL834971 0.87 GRM5 (0.45) KDRPDGFRBGRM5
SCHEMBL835188 0.87 KDR (0.55) KDRPDGFRBGRM5GAA
SCHEMBL836845 0.87 KDR (0.52) KDRPDGFRBKDM4EALDH1A1GAA
SCHEMBL835109 0.85 KDR (0.54) KDRPDGFRBALDH1A1
SCHEMBL832779 0.85 GRM5 (0.56) KDRPDGFRBKDM4EGRM5GAA
SCHEMBL1478529 0.85 KDR (0.52) KDRPDGFRBKDM4EALDH1A1

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 KDR 51/4885PDGFRB 368/4885KDM4E 891/4885
US-20120207810-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 KDR 51/4885PDGFRB 368/4885KDM4E 891/4885
US-20090196906-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 KDR 51/4885PDGFRB 368/4885KDM4E 891/4885
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS SRC, PTK2B, TYRO3 KDR 321/4885PDGFRB 409/4885KDM4E 1695/4885

“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.