SCHEMBL871802

SCHEMBL871802

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
PHGDH O43175 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
BRAF P15056 2/20 0.38
MAPK1 P28482 2/20 0.37
LMNA P02545 2/20 0.37
GAA P10253 1/20 0.37
PIK3CD O00329 1/20 0.36
PIK3R1 P27986 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
PDGFRB P09619 5/20 0.36
KIT P10721 5/20 0.36
FLT1 P17948 5/20 0.36
KDR P35968 5/20 0.36
AURKA O14965 4/20 0.36

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 0.90 BRAF (0.37) KMT2ASMN1; SMN2MAPTBRAFMAPK1
SCHEMBL848222 0.88 KDR (0.49) KMT2APDGFRBKDR
SCHEMBL10182239 0.88 KDR (0.36) KMT2ASMN1; SMN2MAPTBRAFMAPK1
SCHEMBL10183241 0.87 MAPK1 (0.36) KMT2ASMN1; SMN2MAPTBRAFMAPK1
SCHEMBL872089 0.87 KMT2A (0.36) KMT2ASMN1; SMN2MAPTBRAFMAPK1
SCHEMBL869452 0.87 KDR (0.44) KMT2ASMN1; SMN2MAPTBRAFMAPK1
SCHEMBL869955 0.85 LMNA (0.38) KMT2ASMN1; SMN2MAPTBRAFMAPK1
SCHEMBL872934 0.85 KDR (0.41) KMT2ASMN1; SMN2MAPTBRAFMAPK1
SCHEMBL10183863 0.85 KDR (0.35) KMT2ASMN1; SMN2MAPTBRAFMAPK1
SCHEMBL10182242 0.83 KDR (0.38) KMT2ASMN1; SMN2MAPTBRAFMAPK1

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 1670/4885PHGDH 1308/4885SMN1; SMN2 4781/4885
US-20120207810-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 KMT2A 1670/4885PHGDH 1308/4885SMN1; SMN2 4781/4885
US-20090196906-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 KMT2A 1670/4885PHGDH 1308/4885SMN1; SMN2 4781/4885

“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.