SCHEMBL869147

SCHEMBL869147

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
EPHX2 P34913 2/20 0.36
TRPV4 Q9HBA0 2/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
PDE4B Q07343 1/20 0.36
GRK2 P25098 1/20 0.36
LMNA P02545 1/20 0.36
BRAF P15056 3/20 0.36
RECQL P46063 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RAF1 P04049 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
GAA P10253 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35

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
SCHEMBL869145 0.91 GAA (0.44) POLBEPHX2ADORA2AADORA2BADORA1
SCHEMBL836453 0.90 KDR (0.46) POLB
SCHEMBL10183846 0.85 PDGFRB (0.36) LMNABRAFMEN1KMT2AGAA
SCHEMBL10183811 0.84 ROCK2 (0.38) LMNABRAFMEN1KMT2AGAA
SCHEMBL872934 0.81 KDR (0.41) LMNABRAFMEN1KMT2AGAA
SCHEMBL832271 0.81 KDR (0.47) POLBEPHX2GRK2GAA
SCHEMBL869770 0.80 KMT2A (0.38) LMNABRAFMEN1KMT2AGAA
SCHEMBL10182506 0.79 KMT2A (0.39) POLBLMNABRAFMEN1KMT2A
SCHEMBL10182669 0.78 CA1 (0.44) LMNAMEN1KMT2AGAA
SCHEMBL10182239 0.78 KDR (0.36) LMNABRAFMEN1KMT2AGAA

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 POLB 3520/4885EPHX2 2736/4885TRPV4 1985/4885
US-20120207810-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 POLB 3520/4885EPHX2 2736/4885TRPV4 1985/4885
US-20090196906-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 POLB 3520/4885EPHX2 2736/4885TRPV4 1985/4885

“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.