Sugi Predict

Sugi Predict / Compounds / SCHEMBL833296

SCHEMBL833296

SCHEMBL833296

COc1ccc(S(C)(=O)=NC(=O)c2cncc(C#Cc3cccnc3)c2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.48
▸ KDR P35968 5/20 0.47
▸ PDGFRB P09619 4/20 0.47
▸ PDE4A P27815 2/20 0.43
▸ PDE4B Q07343 2/20 0.43
▸ PDE4C Q08493 2/20 0.43
▸ PDE4D Q08499 2/20 0.43
▸ ERN1 O75460 1/20 0.42
▸ NAMPT P43490 2/20 0.41
▸ CYP1A1 P04798 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP1B1 Q16678 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL15810041 0.92 KDR (0.48) POLBKDRPDGFRBGAA
SCHEMBL835317 0.92 KDR (0.47) POLBKDRPDGFRBMAPK1
SCHEMBL836037 0.90 KDR (0.44) POLBKDRPDGFRBMEN1ALDH1A1
SCHEMBL835956 0.89 KDR (0.48) POLBKDRPDGFRBALDH1A1MAPK1
SCHEMBL834645 0.89 KDR (0.58) POLBKDRPDGFRBKMT2A
SCHEMBL837519 0.89 KDR (0.48) POLBKDRPDGFRB
SCHEMBL837081 0.89 KDR (0.48) POLBKDRPDGFRBCYP1A2CYP3A4
SCHEMBL834205 0.89 KDR (0.49) POLBKDRPDGFRB
SCHEMBL834869 0.89 KDR (0.48) POLBKDRPDGFRB
SCHEMBL832578 0.88 KDR (0.46) POLBKDRPDGFRBALDH1A1GAA

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 POLB 3520/4885KDR 51/4885PDGFRB 368/4885
US-20120207810-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 POLB 3520/4885KDR 51/4885PDGFRB 368/4885
US-20090196906-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 POLB 3520/4885KDR 51/4885PDGFRB 368/4885
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS SRC, PTK2B, TYRO3 POLB 2484/4885KDR 321/4885PDGFRB 409/4885

“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.