SCHEMBL869145

SCHEMBL869145

Cc1cc(C(=O)Nc2cccc(-c3cncc(C(=O)N=S(C)(=O)c4cccc(C(=O)NCCN5CCOCC5)c4)c3)c2)n(C)n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
EPHX2 P34913 5/20 0.44
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
ADORA1 P30542 1/20 0.43
PDE4B Q07343 1/20 0.43
GRK2 P25098 1/20 0.42
ERN1 O75460 1/20 0.42
BRAF P15056 2/20 0.41
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAP4K4 O95819 1/20 0.40
CAMK2D Q13557 1/20 0.39
CD274 Q9NZQ7 1/20 0.39

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
SCHEMBL869147 0.91 POLB (0.39) GAAPOLBEPHX2ADORA2AADORA2B
SCHEMBL832271 0.89 KDR (0.47) GAAPOLBSMN1; SMN2EPHX2GRK2
SCHEMBL10182669 0.87 CA1 (0.44) GAASMN1; SMN2CAMK2D
SCHEMBL869770 0.85 KMT2A (0.38) GAASMN1; SMN2BRAF
SCHEMBL10182506 0.83 KMT2A (0.39) POLBSMN1; SMN2BRAF
SCHEMBL872934 0.83 KDR (0.41) GAASMN1; SMN2BRAF
SCHEMBL836453 0.81 KDR (0.46) POLB
SCHEMBL10183846 0.81 PDGFRB (0.36) GAASMN1; SMN2BRAF
SCHEMBL10183811 0.80 ROCK2 (0.38) GAASMN1; SMN2BRAF
SCHEMBL10182347 0.77 KDR (0.37) GAASMN1; SMN2BRAF

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 GAA 1736/4885POLB 3520/4885SMN1; SMN2 4781/4885
US-20120207810-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 GAA 1736/4885POLB 3520/4885SMN1; SMN2 4781/4885
US-20090196906-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 GAA 1736/4885POLB 3520/4885SMN1; 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.