SCHEMBL16008185

SCHEMBL16008185

NC(=O)/C=C(\c1ccccc1)c1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 1.00
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA9 Q16790 1/20 0.58
PDGFRB P09619 3/20 0.55
DGAT1 O75907 1/20 0.53
TEK Q02763 4/20 0.53
RIPK1 Q13546 1/20 0.50
EPHB4 P54760 1/20 0.49
FLT3 P36888 4/20 0.48
KIT P10721 3/20 0.48
NTRK1 P04629 1/20 0.47
RET P07949 1/20 0.47
LTK P29376 1/20 0.47
CDK8 P49336 1/20 0.47
NTRK3 Q16288 1/20 0.47
MAPK14 Q16539 1/20 0.47
NTRK2 Q16620 1/20 0.47
AURKB Q96GD4 1/20 0.47

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
SCHEMBL16008183 1.00 KDR (1.00) KDRCA12CA1CA2CA9
SCHEMBL16008186 1.00 KDR (1.00) KDRCA12CA1CA2CA9
SCHEMBL16008165 0.92 KDR (0.85) KDRCA12CA1CA2CA9
SCHEMBL16008166 0.92 KDR (0.85) KDRCA12CA1CA2CA9
SCHEMBL16008163 0.92 KDR (0.85) KDRCA12CA1CA2CA9
SCHEMBL16008305 0.88 KDR (1.00) KDRCA12CA1CA2CA9
SCHEMBL16008307 0.88 KDR (1.00) KDRCA12CA1CA2CA9
SCHEMBL16008043 0.88 KDR (1.00) KDRCA12CA1CA2CA9
SCHEMBL16008046 0.88 KDR (1.00) KDRCA12CA1CA2CA9
SCHEMBL5271094 0.83 KDR (0.69) 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 322/4885CA12 4843/4885CA1 4463/4885

“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.