SCHEMBL832645

SCHEMBL832645

COc1ccc(C#Cc2cncc(C(=O)N=S(C)(=O)c3ccc(NC(C)=O)cc3)c2)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.47
PDGFRB P09619 8/20 0.47
ACACB O00763 2/20 0.42
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CSF1R P07333 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
IDO1 P14902 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL833479 0.91 KDR (0.44) KDRPDGFRBACACBCSF1R
SCHEMBL835843 0.91 KDR (0.50) KDRPDGFRBACACB
SCHEMBL835019 0.89 KDR (0.47) KDRPDGFRBACACBCSF1R
SCHEMBL835116 0.89 KDR (0.49) KDRPDGFRBLMNAMEN1KMT2A
SCHEMBL834396 0.88 KDR (0.49) KDRPDGFRBLMNAMEN1KMT2A
SCHEMBL835500 0.88 KDR (0.42) KDRPDGFRBACACBCSF1R
SCHEMBL835109 0.88 KDR (0.54) KDRPDGFRB
SCHEMBL836212 0.88 KDR (0.45) KDRPDGFRBACACBCSF1R
SCHEMBL835400 0.88 KDR (0.49) KDRPDGFRBLMNASMN1; SMN2IDO1
SCHEMBL835542 0.87 KDR (0.56) KDRPDGFRB

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 368/4885ACACB 3328/4885
US-20120207810-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 KDR 51/4885PDGFRB 368/4885ACACB 3328/4885
US-20090196906-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 KDR 51/4885PDGFRB 368/4885ACACB 3328/4885
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS SRC, PTK2B, TYRO3 KDR 321/4885PDGFRB 409/4885ACACB 2953/4885

“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.