SCHEMBL869452

SCHEMBL869452

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.44
PDGFRB P09619 7/20 0.44
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
BRAF P15056 1/20 0.37
F10 P00742 1/20 0.36
KMT2A Q03164 2/20 0.36
MAPK1 P28482 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 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
SCHEMBL10182242 0.94 KDR (0.38) KDRPDGFRBCNR1CNR2BRAF
SCHEMBL869955 0.91 LMNA (0.38) KDRPDGFRBBRAFKMT2AMAPK1
SCHEMBL10182239 0.89 KDR (0.36) KDRPDGFRBCNR1CNR2BRAF
SCHEMBL869137 0.88 BRAF (0.37) KDRPDGFRBBRAFKMT2AMAPK1
SCHEMBL848443 0.87 KDR (0.60) KDRPDGFRB
SCHEMBL10183241 0.87 MAPK1 (0.36) KDRPDGFRBCNR1CNR2BRAF
SCHEMBL871802 0.87 KMT2A (0.42) KDRPDGFRBBRAFKMT2AMAPK1
SCHEMBL872934 0.86 KDR (0.41) KDRPDGFRBBRAFKMT2AMAPK1
SCHEMBL10183863 0.86 KDR (0.35) KDRPDGFRBBRAFKMT2AMAPK1
SCHEMBL872089 0.85 KMT2A (0.36) KDRPDGFRBBRAFF10KMT2A

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 KDR 51/4885PDGFRB 368/4885CNR1 2846/4885
US-20120207810-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 KDR 51/4885PDGFRB 368/4885CNR1 2846/4885
US-20090196906-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 KDR 51/4885PDGFRB 368/4885CNR1 2846/4885

“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.