SCHEMBL836438

SCHEMBL836438

COc1ccc2cc(C#Cc3cncc(C(=O)N=S(C)(=O)c4cc(C)cc(C)c4)c3)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.46
PDGFRB P09619 9/20 0.46
CYP11B1 P15538 3/20 0.38
CYP11B2 P19099 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
SLC16A3 O15427 1/20 0.35
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL834941 0.93 KDR (0.54) KDRPDGFRBCYP11B1CYP11B2CYP1A2
SCHEMBL835177 0.92 KDR (0.50) KDRPDGFRBCYP11B1CYP11B2CYP1A2
SCHEMBL836620 0.92 KDR (0.47) KDRPDGFRBSLC16A3
SCHEMBL835165 0.91 KDR (0.44) KDRPDGFRBCYP11B1CYP11B2CYP1A2
SCHEMBL834664 0.90 KDR (0.44) KDRPDGFRBCYP11B1CYP11B2CYP1A2
SCHEMBL833723 0.90 KDR (0.42) KDRPDGFRBCYP11B1CYP11B2CYP1A2
SCHEMBL835272 0.89 KDR (0.45) KDRPDGFRBCYP11B1CYP11B2CYP1A2
SCHEMBL835416 0.89 KDR (0.54) KDRPDGFRBMAPTMAPK1
SCHEMBL835133 0.89 KDR (0.47) KDRPDGFRBCYP11B1CYP11B2CYP1A2
SCHEMBL836440 0.89 KDR (0.42) KDRPDGFRBCYP11B1CYP11B2CYP1A2

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 368/4885CYP11B1 3484/4885
US-20120207810-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 KDR 51/4885PDGFRB 368/4885CYP11B1 3484/4885
US-20090196906-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 KDR 51/4885PDGFRB 368/4885CYP11B1 3484/4885
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS SRC, PTK2B, TYRO3 KDR 321/4885PDGFRB 409/4885CYP11B1 2456/4885

“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.