SCHEMBL9999438

SCHEMBL9999438

FC(F)(F)c1ccc2cnnc(Br)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.41
THRB P10828 1/20 0.39
BACE1 P56817 1/20 0.38
CHUK O15111 1/20 0.36
MAOB P27338 1/20 0.35
GRM5 P41594 1/20 0.35
SCD O00767 1/20 0.34
KIF11 P52732 5/20 0.34
KDM4E B2RXH2 1/20 0.34
CCNE2 O96020 1/20 0.34
CCNA2 P20248 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SOS1 Q07889 1/20 0.34
CNR1 P21554 2/20 0.33
JUN P05412 1/20 0.33
NFKB1 P19838 1/20 0.33

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
SCHEMBL9998302 0.83 METAP2 (0.41) METAP2BACE1CHUKGRM5SCD
SCHEMBL30502558 0.79 METAP2 (0.41) METAP2BACE1CHUKGRM5SCD
SCHEMBL9998468 0.79 KDM4E (0.45) METAP2BACE1CHUKGRM5KIF11
SCHEMBL15214705 0.79 METAP2 (0.41) METAP2BACE1CHUKGRM5SCD
SCHEMBL12032472 0.77 KIF11 (0.39) METAP2BACE1CHUKGRM5SCD
SCHEMBL31146629 0.72 JUN (0.39) METAP2BACE1GRM5SCDKIF11
SCHEMBL27920310 0.71 BACE1 (0.50) METAP2THRBBACE1CHUKKIF11
SCHEMBL29033113 0.69 KDM4E (0.41) CHUKMAOBKIF11KDM4E
SCHEMBL29033160 0.69 KDM4E (0.45) METAP2BACE1GRM5KIF11KDM4E
SCHEMBL29426534 0.69 KDM4E (0.45) METAP2BACE1GRM5KIF11KDM4E

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
US-20110312936-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTAICA N.V. (BE) 2011-12-22 US disclosed
WO-2011159854-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2011-12-22 WO 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 METAP2 1897/4885THRB 1595/4885BACE1 3321/4885
US-20130310365-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 METAP2 1897/4885THRB 1595/4885BACE1 3321/4885

“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.