SCHEMBL836037

SCHEMBL836037

COc1ccc(S(C)(=O)=NC(=O)c2cncc(C#Cc3ccncc3)c2)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.44
PDGFRB P09619 7/20 0.44
ATM Q13315 1/20 0.43
POLB P06746 1/20 0.41
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37
KMT2A Q03164 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
SCHEMBL835317 0.94 KDR (0.47) KDRPDGFRBATMPOLB
SCHEMBL15810041 0.92 KDR (0.48) KDRPDGFRBPOLBPKM
SCHEMBL836401 0.92 KDR (0.44) KDRPDGFRBATMPOLBALDH1A1
SCHEMBL835831 0.92 KDR (0.52) KDRPDGFRBPOLBALDH1A1
SCHEMBL836263 0.91 KDR (0.43) KDRPDGFRBATMPOLBKMT2A
SCHEMBL834931 0.91 KDR (0.43) KDRPDGFRBPOLBHTTALDH1A1
SCHEMBL833854 0.90 KDR (0.44) KDRPDGFRBATMPOLBMEN1
SCHEMBL833296 0.90 POLB (0.48) KDRPDGFRBPOLBMEN1ALDH1A1
SCHEMBL11908717 0.90 KDR (0.43) KDRPDGFRBATMPOLB
SCHEMBL835039 0.89 KDR (0.42) KDRPDGFRBPOLBHTTMEN1

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 368/4885ATM 753/4885
US-20120207810-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 KDR 51/4885PDGFRB 368/4885ATM 753/4885
US-20090196906-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 KDR 51/4885PDGFRB 368/4885ATM 753/4885
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS SRC, PTK2B, TYRO3 KDR 321/4885PDGFRB 409/4885ATM 590/4885

“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.