SCHEMBL836173

SCHEMBL836173

COc1cc(C#Cc2cncc(C(=O)N=S(C)(=O)c3cc(C)cc(C)c3)c2)cc(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.46
PDGFRB P09619 10/20 0.46
CSF1R P07333 1/20 0.35
GRM5 P41594 1/20 0.33
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
SLC16A3 O15427 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL835003 0.91 KDR (0.51) KDRPDGFRBCSF1RGRM5MAPK1
SCHEMBL836620 0.91 KDR (0.47) KDRPDGFRBGRM5SLC16A3
SCHEMBL834308 0.90 KDR (0.54) KDRPDGFRBCSF1RGRM5
SCHEMBL835416 0.90 KDR (0.54) KDRPDGFRBGRM5MAPTMAPK1
SCHEMBL835356 0.88 KDR (0.41) KDRPDGFRBCSF1RGRM5MAPT
SCHEMBL834278 0.88 KDR (0.44) KDRPDGFRBCSF1RGRM5SLC16A3
SCHEMBL833276 0.87 KDR (0.46) KDRPDGFRBCSF1RGRM5MAPT
SCHEMBL836438 0.87 KDR (0.46) KDRPDGFRBMAPTMAPK1SLC16A3
SCHEMBL835582 0.86 KDR (0.44) KDRPDGFRBCSF1RSLC16A3
SCHEMBL836631 0.85 KDR (0.48) 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 368/4885CSF1R 776/4885
US-20120207810-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 KDR 51/4885PDGFRB 368/4885CSF1R 776/4885
US-20090196906-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 KDR 51/4885PDGFRB 368/4885CSF1R 776/4885
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS SRC, PTK2B, TYRO3 KDR 321/4885PDGFRB 409/4885CSF1R 684/4885

“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.