SCHEMBL9998112

SCHEMBL9998112

N#Cc1cc(O)c2cc(C(F)(F)F)ccc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
DGAT1 O75907 3/20 0.41
CTSS P25774 1/20 0.41
DHODH Q02127 2/20 0.40
CCNE2 O96020 1/20 0.40
CCNA2 P20248 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
CCNA1 P78396 1/20 0.40
KCNH2 Q12809 3/20 0.39
SOAT1 P35610 1/20 0.39
ABL1 P00519 1/20 0.38
MAP2K2 P36507 1/20 0.38
CSNK1A1 P48729 1/20 0.38
CLK2 P49760 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
CDK5 Q00535 1/20 0.38
ACVR1 Q04771 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38

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
SCHEMBL2712104 0.78 KDM4E (0.49) KDM4EDGAT1DHODHCCNE2CCNA2
SCHEMBL9494192 0.76 GAK (0.50) KDM4EDHODHCCNE2CCNA2CCNE1
SCHEMBL9998412 0.75 CCRL2 (0.54) DGAT1CDK2KCNH2ABL1MAP2K2
SCHEMBL28546936 0.72 KDM4E (0.43) KDM4EDHODHCCNE2CCNA2CCNE1
SCHEMBL29632523 0.70 NT5E (0.41) KDM4EDGAT1KCNH2SOAT1LMNA
SCHEMBL4421437 0.69 RIPK2 (0.53) KDM4ECDK2ABL1CSNK1A1CLK2
SCHEMBL19579754 0.69 CFTR (0.49) KDM4EDHODHCCNE2CCNA2CCNE1
SCHEMBL9998366 0.68 KDM4E (0.49) KDM4EDGAT1DHODHCCNE2CCNA2
SCHEMBL30540330 0.68 CDK2 (0.57) KDM4EDGAT1DHODHCCNE2CCNA2
SCHEMBL9998169 0.68 CDK2 (0.57) KDM4EDGAT1DHODHCCNE2CCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103097375-B Cyclohexyl-azetidine the antagonist of CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2015-08-12 CN disclosed
EP-2582692-B1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-07-22 EP disclosed
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-9062048-B2 Cyclohexyl-azetidinyl antagonists of CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-06-23 US 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-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
US-8518969-B2 Cyclohexyl-azetidinyl antagonists of CCR2 JANSSEN PHARMACEUTICA NV (BE) 2013-08-27 US disclosed
US-8518969-B2 Cyclohexyl-azetidinyl antagonists of CCR2 JANSSEN PHARMACEUTICA NV (BE) 2013-08-27 US disclosed
CN-103097375-A Cyclohexyl-azetidinyl antagonists of CCR2 JANSSEN PHARMACEUTICA NV 2013-05-08 CN 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
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
US-20110312936-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTAICA N.V. (BE) 2011-12-22 US 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 KDM4E 822/4885DGAT1 2080/4885CTSS 1318/4885
US-20130310365-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 KDM4E 822/4885DGAT1 2080/4885CTSS 1318/4885

“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.