SCHEMBL835642

SCHEMBL835642

COc1ccc(C#Cc2cncc(C(=O)N=S(C)(=O)c3cc(Cl)cc(Cl)c3)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.42
PDGFRB P09619 8/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.37
AHR P35869 1/20 0.34
SLC16A3 O15427 1/20 0.34

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
SCHEMBL833723 0.92 KDR (0.42) KDRPDGFRBPTGDR2SLC16A3
SCHEMBL833444 0.92 KDR (0.45) KDRPDGFRBPTGDR2
SCHEMBL835280 0.92 KDR (0.42) KDRPDGFRBPTGDR2
SCHEMBL834155 0.92 KDR (0.42) KDRPDGFRBPTGDR2
SCHEMBL835356 0.91 KDR (0.41) KDRPDGFRBPTGDR2
SCHEMBL836298 0.91 KDR (0.45) KDRPDGFRBSLC16A3
SCHEMBL834682 0.91 KDR (0.45) KDRPDGFRBPTGDR2
SCHEMBL835902 0.89 KDR (0.48) KDRPDGFRB
SCHEMBL834081 0.89 KDR (0.43) KDRPDGFRBPTGDR2
SCHEMBL836620 0.89 KDR (0.47) 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 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 368/4885PTGDR2 664/4885
US-20120207810-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 KDR 51/4885PDGFRB 368/4885PTGDR2 664/4885
US-20090196906-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 KDR 51/4885PDGFRB 368/4885PTGDR2 664/4885
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS SRC, PTK2B, TYRO3 KDR 321/4885PDGFRB 409/4885PTGDR2 958/4885

“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.