Sugi Predict

Sugi Predict / Compounds / SCHEMBL834394

SCHEMBL834394

SCHEMBL834394

CC(=O)Nc1ccc(S(C)(=O)=NC(=O)c2cncc(C#Cc3cc(F)cc(F)c3)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 13/20 0.51
▸ PDGFRB P09619 9/20 0.51
▸ IDO1 P14902 3/20 0.43
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ F2 P00734 1/20 0.37
▸ PRSS1 P07477 1/20 0.37
▸ PRSS2 P07478 1/20 0.37
▸ PRSS3 P35030 1/20 0.37

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
SCHEMBL835901 0.92 KDR (0.58) KDRPDGFRBIDO1
SCHEMBL835536 0.90 KDR (0.54) KDRPDGFRB
SCHEMBL14713183 0.88 KDR (0.57) KDRPDGFRBMEN1KMT2AKDM4E
SCHEMBL836845 0.88 KDR (0.52) KDRPDGFRBMEN1KMT2AGAA
SCHEMBL835558 0.88 KDR (0.47) KDRPDGFRBIDO1MEN1KMT2A
SCHEMBL1478529 0.88 KDR (0.52) KDRPDGFRBMEN1KMT2AKDM4E
SCHEMBL836264 0.87 KDR (0.61) KDRPDGFRBIDO1MEN1KMT2A
SCHEMBL836023 0.87 KDR (0.52) KDRPDGFRBMEN1KMT2AGAA
SCHEMBL834416 0.87 KDR (0.52) KDRPDGFRB
SCHEMBL835400 0.87 KDR (0.49) KDRPDGFRBIDO1LMNAALDH1A1

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 368/4885IDO1 865/4885
US-20120207810-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 KDR 51/4885PDGFRB 368/4885IDO1 865/4885
US-20090196906-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 KDR 51/4885PDGFRB 368/4885IDO1 865/4885
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS SRC, PTK2B, TYRO3 KDR 321/4885PDGFRB 409/4885IDO1 584/4885

“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.