SCHEMBL834244

SCHEMBL834244

CC(=O)Nc1ccc(S(C)(=O)=NC(=O)c2cncc(C#Cc3ccccc3Br)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.50
PDGFRB P09619 9/20 0.50
SLC16A3 O15427 1/20 0.41
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
BDKRB1 P46663 1/20 0.36
CYP3A4 P08684 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
SCHEMBL836310 0.91 KDR (0.51) KDRPDGFRBSLC16A3
SCHEMBL835109 0.91 KDR (0.54) KDRPDGFRBSLC16A3MAPT
SCHEMBL834799 0.89 KDR (0.50) KDRPDGFRBSLC16A3MAPTSMN1; SMN2
SCHEMBL14713183 0.89 KDR (0.57) KDRPDGFRBSLC16A3MAPTSMN1; SMN2
SCHEMBL835063 0.89 KDR (0.46) KDRPDGFRBSLC16A3MAPT
SCHEMBL836007 0.88 KDR (0.52) KDRPDGFRBSLC16A3
SCHEMBL834626 0.88 KDR (0.51) KDRPDGFRBSLC16A3MAPT
SCHEMBL833386 0.88 KDR (0.51) KDRPDGFRBSLC16A3MAPTSMN1; SMN2
SCHEMBL836681 0.87 KDR (0.51) KDRPDGFRBSMN1; SMN2
SCHEMBL834545 0.87 KDR (0.43) KDRPDGFRBSLC16A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 368/4885SLC16A3 4324/4885
US-20120207810-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 KDR 51/4885PDGFRB 368/4885SLC16A3 4324/4885
US-20090196906-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 KDR 51/4885PDGFRB 368/4885SLC16A3 4324/4885
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS SRC, PTK2B, TYRO3 KDR 321/4885PDGFRB 409/4885SLC16A3 4434/4885

“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.