SCHEMBL9998696

SCHEMBL9998696

O=C(O)Nc1ccnc2ccc(C(F)(F)F)cc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 10/20 0.65
GSK3B P49841 7/20 0.65
CLK2 P49760 6/20 0.65
KDR P35968 5/20 0.65
PRKD3 O94806 4/20 0.65
AURKB Q96GD4 4/20 0.65
CDK5 Q00535 4/20 0.65
STK17A Q9UEE5 4/20 0.65
HIPK4 Q8NE63 4/20 0.65
MAP4K4 O95819 3/20 0.65
CDK2 P24941 3/20 0.65
PIM3 Q86V86 3/20 0.65
DYRK3 O43781 3/20 0.65
DYRK1A Q13627 3/20 0.65
STK3 Q13188 3/20 0.65
PBK Q96KB5 3/20 0.65
LIMK1 P53667 2/20 0.65
CSNK1G2 P78368 2/20 0.65
BRSK1 Q8TDC3 2/20 0.65
SGK2 Q9HBY8 2/20 0.65

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
SCHEMBL12032927 0.80 CCNC (0.59) CLK4GSK3BCLK2KDRPRKD3
SCHEMBL31060264 0.79 CLK4 (1.00) CLK4GSK3BCLK2KDRPRKD3
SCHEMBL3797148 0.79 CLK4 (1.00) CLK4GSK3BCLK2KDRPRKD3
SCHEMBL27902526 0.79 CCNC (0.58) CLK4GSK3BCLK2KDRPRKD3
SCHEMBL12095894 0.78 SLC22A12 (0.58) RIPK2CDK8CCNCABL1GAK
SCHEMBL26965922 0.78 LMNA (0.56) CLK4GSK3BCLK2KDRPRKD3
SCHEMBL30120710 0.78 LMNA (0.56) CLK4GSK3BCLK2KDRPRKD3
SCHEMBL29822887 0.77 GAK (0.57) CLK4GSK3BCLK2KDRPRKD3
SCHEMBL27299059 0.76 CLK4 (0.63) CLK4GSK3BCLK2KDRPRKD3
SCHEMBL3804165 0.76 CLK4 (0.67) CLK4GSK3BCLK2KDRPRKD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2582692-B1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-07-22 EP disclosed
US-9062048-B2 Cyclohexyl-azetidinyl antagonists of CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-06-23 US disclosed
US-20130310365-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICAL NV (BE) 2013-11-21 US disclosed
US-8518969-B2 Cyclohexyl-azetidinyl antagonists of CCR2 JANSSEN PHARMACEUTICA NV (BE) 2013-08-27 US disclosed
EP-2582692-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 Janssen Pharmaceutica, N.V. (BE) 2013-04-24 EP disclosed
WO-2011159854-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2011-12-22 WO disclosed
US-20110312936-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTAICA N.V. (BE) 2011-12-22 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 (2 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-20110312936-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 CLK4 3506/4885GSK3B 4566/4885CLK2 2786/4885
US-20130310365-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 CLK4 3506/4885GSK3B 4566/4885CLK2 2786/4885

“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.