SCHEMBL869137

SCHEMBL869137

CNC(=O)C[S@@](=O)(=NC(=O)c1cncc(-c2cccc(NC(=O)c3cc(C)nn3C)c2)c1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.37
KMT2A Q03164 3/20 0.36
MAPK1 P28482 2/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NTRK1 P04629 1/20 0.36
KDR P35968 8/20 0.35
PDGFRB P09619 7/20 0.35
KIT P10721 5/20 0.35
FLT1 P17948 5/20 0.35
AURKA O14965 4/20 0.35
KAT6A Q92794 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
HIF1A Q16665 1/20 0.35
HTT P42858 1/20 0.35
PIK3CD O00329 1/20 0.34

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
SCHEMBL10182239 0.92 KDR (0.36) BRAFKMT2AMAPK1LMNAMAPT
SCHEMBL872089 0.91 KMT2A (0.36) BRAFKMT2AMAPK1LMNAMAPT
SCHEMBL871802 0.90 KMT2A (0.42) BRAFKMT2AMAPK1LMNAMAPT
SCHEMBL10183863 0.89 KDR (0.35) BRAFKMT2AMAPK1LMNAMAPT
SCHEMBL869452 0.88 KDR (0.44) BRAFKMT2AMAPK1LMNAMAPT
SCHEMBL848225 0.87 KDR (0.50) KDRPDGFRB
SCHEMBL834090 0.87 KDR (0.50) KDRPDGFRB
SCHEMBL10183241 0.87 MAPK1 (0.36) BRAFKMT2AMAPK1LMNAMAPT
SCHEMBL872934 0.86 KDR (0.41) BRAFKMT2AMAPK1LMNAMAPT
SCHEMBL869955 0.85 LMNA (0.38) BRAFKMT2AMAPK1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20090196906-A1 Kinase inhibitors ALLERGAN, INC. 2009-08-06 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 (3 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 BRAF 72/4885KMT2A 1670/4885MAPK1 31/4885
US-20120207810-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 BRAF 72/4885KMT2A 1670/4885MAPK1 31/4885
US-20090196906-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 BRAF 72/4885KMT2A 1670/4885MAPK1 31/4885

“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.