SCHEMBL834643

SCHEMBL834643

Cc1ccccc1C#Cc1cncc(C(=O)N=S(C)(=O)c2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.50
PDGFRB P09619 10/20 0.50
SLC16A3 O15427 1/20 0.47
FFAR1 O14842 5/20 0.45
CHRM2 P08172 1/20 0.39
S1PR1 P21453 1/20 0.39
FPR1 P21462 1/20 0.39
FPR3 P25089 1/20 0.39
GPR183 P32249 1/20 0.39
APLNR P35414 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
GPR65 Q8IYL9 1/20 0.39

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
SCHEMBL835171 0.94 KDR (0.54) KDRPDGFRBSLC16A3FFAR1
SCHEMBL835203 0.92 KDR (0.47) KDRPDGFRBSLC16A3FFAR1
SCHEMBL834083 0.92 KDR (0.56) KDRPDGFRBSLC16A3FFAR1CHRM2
SCHEMBL835585 0.91 KDR (0.50) KDRPDGFRBSLC16A3FFAR1CHRM2
SCHEMBL835442 0.90 KDR (0.47) KDRPDGFRBSLC16A3FFAR1CHRM2
SCHEMBL833321 0.90 KDR (0.46) KDRPDGFRBSLC16A3FFAR1
SCHEMBL833322 0.90 KDR (0.46) KDRPDGFRBSLC16A3FFAR1
SCHEMBL834388 0.90 KDR (0.46) KDRPDGFRBSLC16A3FFAR1
SCHEMBL835478 0.90 KDR (0.47) KDRPDGFRBSLC16A3FFAR1
SCHEMBL836650 0.90 KDR (0.53) KDRPDGFRBSLC16A3

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915443-B2 Sulfoximines as kinase inhibitors ALLERGAN, INC. (US) 2011-03-29 US claimed
EP-2099757-A2 SULFOXIMINES AS KINASE INHIBITORS Allergan, Inc. (US) 2009-09-16 EP claimed
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS ALLERGAN, INC. 2009-04-16 US claimed
WO-2008061236-A2 SULFOXIMINES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2008-05-22 WO claimed
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 368/4885SLC16A3 4324/4885
US-20120207810-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 KDR 51/4885PDGFRB 368/4885SLC16A3 4324/4885
US-20090196906-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 KDR 51/4885PDGFRB 368/4885SLC16A3 4324/4885
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS SRC, PTK2B, TYRO3 KDR 321/4885PDGFRB 409/4885SLC16A3 4434/4885

“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.