SCHEMBL834174

SCHEMBL834174

COc1ccc(C#Cc2cncc(C(=O)N=S(C)(=O)c3ccc(C)cc3)c2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.52
PDGFRB P09619 9/20 0.52
PAX8 Q06710 1/20 0.40
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
PTGS2 P35354 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 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
SCHEMBL835831 0.96 KDR (0.52) KDRPDGFRBPAX8ALDH1A1LMNA
SCHEMBL835317 0.94 KDR (0.47) KDRPDGFRBPOLB
SCHEMBL836631 0.92 KDR (0.48) KDRPDGFRBPOLB
SCHEMBL834277 0.92 KDR (0.44) KDRPDGFRBALDH1A1MAPTPOLB
SCHEMBL835949 0.91 KDR (0.46) KDRPDGFRBALDH1A1POLB
SCHEMBL834607 0.91 KDR (0.43) KDRPDGFRBMAPT
SCHEMBL833726 0.91 KDR (0.47) KDRPDGFRBALDH1A1LMNAPOLB
SCHEMBL833774 0.90 KDR (0.56) KDRPDGFRBLMNAPOLB
SCHEMBL834579 0.89 KDR (0.57) KDRPDGFRBLMNAMAPTPTGS2
SCHEMBL834645 0.89 KDR (0.58) KDRPDGFRBPOLB

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 368/4885PAX8 1531/4885
US-20120207810-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 KDR 51/4885PDGFRB 368/4885PAX8 1531/4885
US-20090196906-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 KDR 51/4885PDGFRB 368/4885PAX8 1531/4885
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS SRC, PTK2B, TYRO3 KDR 321/4885PDGFRB 409/4885PAX8 3050/4885

“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.