SCHEMBL835359

SCHEMBL835359

CC(C)(C)N(C(=O)O)c1ccc(C#Cc2cncc(C(=O)N=[S@@](C)(=O)c3ccccc3)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDR P35968 16/20 0.44
PDGFRB P09619 9/20 0.44
MAPT P10636 2/20 0.37
SLC16A3 O15427 1/20 0.35
GRM5 P41594 1/20 0.32

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
SCHEMBL833841 1.00 KDR (0.44) KDRPDGFRBMAPTSLC16A3GRM5
SCHEMBL836874 0.91 KDR (0.49) KDRPDGFRBMAPT
SCHEMBL836873 0.91 KDR (0.49) KDRPDGFRBMAPT
SCHEMBL836650 0.85 KDR (0.53) KDRPDGFRBMAPTSLC16A3
SCHEMBL835062 0.85 KDR (0.53) KDRPDGFRBMAPTSLC16A3
SCHEMBL836858 0.85 KDR (0.53) KDRPDGFRBMAPTSLC16A3
SCHEMBL834289 0.84 KDR (0.41) KDRPDGFRBMAPTSLC16A3
SCHEMBL834288 0.84 KDR (0.41) KDRPDGFRBMAPTSLC16A3
SCHEMBL835084 0.84 KDR (0.48) KDRPDGFRBMAPTSLC16A3
SCHEMBL835627 0.84 KDR (0.48) KDRPDGFRBMAPTSLC16A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 368/4885MAPT 1650/4885

“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.