SCHEMBL833561

SCHEMBL833561

COc1cc(C#Cc2cncc(C(=O)N=S(C)(=O)c3ccc(Cl)cc3)c2)cc(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.42
PDGFRB P09619 10/20 0.42
PTGDR2 Q9Y5Y4 3/20 0.39
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
HSP90AA1 P07900 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
F10 P00742 1/20 0.35

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
SCHEMBL834278 0.93 KDR (0.44) KDRPDGFRB
SCHEMBL834155 0.92 KDR (0.42) KDRPDGFRBPTGDR2PTGS1PTGS2
SCHEMBL835280 0.92 KDR (0.42) KDRPDGFRBPTGDR2PTGS1PTGS2
SCHEMBL834082 0.91 KDR (0.48) KDRPDGFRB
SCHEMBL835003 0.91 KDR (0.51) KDRPDGFRBPTGS2
SCHEMBL835356 0.91 KDR (0.41) KDRPDGFRBPTGDR2
SCHEMBL833276 0.90 KDR (0.46) KDRPDGFRB
SCHEMBL833755 0.89 KDR (0.44) KDRPDGFRBPTGDR2
SCHEMBL835541 0.88 KDR (0.47) KDRPDGFRBPTGDR2PTGS1PTGS2
SCHEMBL834609 0.87 KDR (0.43) KDRPDGFRB

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.