SCHEMBL836263

SCHEMBL836263

COc1ccc(S(C)(=O)=NC(=O)c2cncc(C#Cc3ccc(Br)cc3)c2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.43
PDGFRB P09619 8/20 0.43
ALPL P05186 2/20 0.40
POLB P06746 1/20 0.39
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
ATM Q13315 1/20 0.36
KMT2A Q03164 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL835317 0.93 KDR (0.47) KDRPDGFRBPOLBATM
SCHEMBL834869 0.91 KDR (0.48) KDRPDGFRBALPLPOLB
SCHEMBL15810041 0.91 KDR (0.48) KDRPDGFRBPOLB
SCHEMBL836037 0.91 KDR (0.44) KDRPDGFRBPOLBATMKMT2A
SCHEMBL835831 0.91 KDR (0.52) KDRPDGFRBPOLB
SCHEMBL836401 0.91 KDR (0.44) KDRPDGFRBPOLBATM
SCHEMBL834931 0.90 KDR (0.43) KDRPDGFRBALPLPOLB
SCHEMBL835493 0.89 KDR (0.42) KDRPDGFRBPTGS1PTGS2KMT2A
SCHEMBL11908717 0.89 KDR (0.43) KDRPDGFRBPOLBATM
SCHEMBL835039 0.88 KDR (0.42) KDRPDGFRBPOLBPTGS2KMT2A

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 368/4885ALPL 4170/4885
US-20120207810-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 KDR 51/4885PDGFRB 368/4885ALPL 4170/4885
US-20090196906-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 KDR 51/4885PDGFRB 368/4885ALPL 4170/4885
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS SRC, PTK2B, TYRO3 KDR 321/4885PDGFRB 409/4885ALPL 4718/4885

“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.