SCHEMBL16008166

SCHEMBL16008166

NC(=O)C=C(c1ccccc1)c1cccc(NC(=O)Nc2cc(C(F)(F)F)ccc2F)c1

nearest known ligand 0.85

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.85
GRIK1 P39086 5/20 0.51
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
RIPK1 Q13546 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
PDGFRB P09619 1/20 0.48
TEK Q02763 1/20 0.47
BRAF P15056 1/20 0.47
EPHX2 P34913 1/20 0.47
KCNK3 O14649 1/20 0.46

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
SCHEMBL16008165 1.00 KDR (0.85) KDRGRIK1CA12CA1CA2
SCHEMBL16008163 1.00 KDR (0.85) KDRGRIK1CA12CA1CA2
SCHEMBL16008186 0.92 KDR (1.00) KDRCA12CA1CA2CA9
SCHEMBL16008183 0.92 KDR (1.00) KDRCA12CA1CA2CA9
SCHEMBL16008185 0.92 KDR (1.00) KDRCA12CA1CA2CA9
SCHEMBL16008046 0.84 KDR (1.00) KDRCA12CA1CA2CA9
SCHEMBL16008043 0.84 KDR (1.00) KDRCA12CA1CA2CA9
SCHEMBL2264236 0.81 KDR (0.58) KDRGRIK1CA12CA1CA2
SCHEMBL5271094 0.81 KDR (0.69) KDRGRIK1CA12CA1CA2
SCHEMBL16008305 0.80 KDR (1.00) KDRCA12CA1CA2CA9

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9321721-B2 Kinase inhibitors ALLERGAN, INC. (US) 2016-04-26 US claimed
WO-2014138452-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2014-09-12 WO claimed
US-20140256819-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2014-09-11 US claimed
US-9321721-B2 Kinase inhibitors ALLERGAN, INC. (US) 2016-04-26 US disclosed
WO-2014138452-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2014-09-12 WO disclosed
US-20140256819-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2014-09-11 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 (1 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-20140256819-A1 KINASE INHIBITORS CDK1, MAP3K1, MAPK1 KDR 322/4885GRIK1 707/4885CA12 4843/4885

“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.