Sugi Predict

Sugi Predict / Compounds / SCHEMBL833386

SCHEMBL833386

SCHEMBL833386

COc1ccccc1C#Cc1cncc(C(=O)N=S(C)(=O)c2ccc(NC(C)=O)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 13/20 0.51
▸ PDGFRB P09619 11/20 0.51
▸ HTT P42858 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ SLC16A3 O15427 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38

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
SCHEMBL835117 0.91 KDR (0.52) KDRPDGFRB
SCHEMBL835109 0.89 KDR (0.54) KDRPDGFRBHTTALDH1A1SLC16A3
SCHEMBL834071 0.89 KDR (0.46) KDRPDGFRBSLC16A3
SCHEMBL834505 0.88 KDR (0.44) KDRPDGFRBHTTALDH1A1SLC16A3
SCHEMBL832402 0.88 KDR (0.52) KDRPDGFRBLMNAALDH1A1SLC16A3
SCHEMBL834244 0.88 KDR (0.50) KDRPDGFRBSLC16A3SMN1; SMN2MAPT
SCHEMBL834799 0.88 KDR (0.50) KDRPDGFRBSLC16A3MEN1KMT2A
SCHEMBL835010 0.87 KDR (0.44) KDRPDGFRBLMNASLC16A3
SCHEMBL14713183 0.87 KDR (0.57) KDRPDGFRBALDH1A1SLC16A3MEN1
SCHEMBL835542 0.87 KDR (0.56) 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 368/4885HTT 4564/4885
US-20120207810-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 KDR 51/4885PDGFRB 368/4885HTT 4564/4885
US-20090196906-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 KDR 51/4885PDGFRB 368/4885HTT 4564/4885
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS SRC, PTK2B, TYRO3 KDR 321/4885PDGFRB 409/4885HTT 4309/4885

“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.