SCHEMBL872089

SCHEMBL872089

Cc1cc(C(=O)Nc2cccc(-c3cncc(C(=O)N=[S@](=O)(CC(=O)NCC(N)=O)c4ccccc4)c3)c2)n(C)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
LMNA P02545 2/20 0.36
MAPK1 P28482 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
BRAF P15056 2/20 0.36
F10 P00742 4/20 0.35
F2 P00734 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
PDGFRB P09619 6/20 0.34
KDR P35968 6/20 0.34
KIT P10721 5/20 0.34
FLT1 P17948 5/20 0.34
AURKA O14965 4/20 0.34
KAT6A Q92794 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
SCHEMBL869137 0.91 BRAF (0.37) KMT2ALMNAMAPK1SMN1; SMN2GAA
SCHEMBL10182239 0.91 KDR (0.36) KMT2ALMNAMAPK1SMN1; SMN2GAA
SCHEMBL837362 0.89 KDR (0.47) PDGFRBKDR
SCHEMBL847959 0.89 KDR (0.47) PDGFRBKDR
SCHEMBL10183863 0.88 KDR (0.35) KMT2ALMNAMAPK1SMN1; SMN2GAA
SCHEMBL871802 0.87 KMT2A (0.42) KMT2ALMNAMAPK1SMN1; SMN2GAA
SCHEMBL869452 0.85 KDR (0.44) KMT2ALMNAMAPK1SMN1; SMN2GAA
SCHEMBL10183241 0.84 MAPK1 (0.36) KMT2ALMNAMAPK1SMN1; SMN2GAA
SCHEMBL872934 0.84 KDR (0.41) KMT2ALMNAMAPK1SMN1; SMN2GAA
SCHEMBL869955 0.83 LMNA (0.38) KMT2ALMNAMAPK1SMN1; SMN2GAA

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 KMT2A 1670/4885LMNA 4717/4885MAPK1 31/4885
US-20120207810-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 KMT2A 1670/4885LMNA 4717/4885MAPK1 31/4885
US-20090196906-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 KMT2A 1670/4885LMNA 4717/4885MAPK1 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.