SCHEMBL2483079

SCHEMBL2483079

O=C(O)CNC(=O)c1cc(C(F)(F)F)ccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.56
JAK1 P23458 1/20 0.56
TYK2 P29597 1/20 0.56
LMNA P02545 1/20 0.54
HPGD P15428 1/20 0.54
HDAC1 Q13547 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
MCL1 Q07820 1/20 0.51
CRHR1 P34998 3/20 0.49
P2RX7 Q99572 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
ANO1 Q5XXA6 1/20 0.46
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SORT1 Q99523 1/20 0.46
ITGB1 P05556 1/20 0.46
ITGA4 P13612 1/20 0.46
EGLN1 Q9GZT9 1/20 0.45

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
SCHEMBL29103360 0.84 JAK2 (0.49) JAK2JAK1TYK2LMNAHPGD
SCHEMBL13753890 0.84 JAK2 (0.57) JAK2JAK1TYK2LMNAHPGD
SCHEMBL2481244 0.84 CES2 (0.58) MCL1TDP1SORT1EGLN1
SCHEMBL21841270 0.84 DDR1 (0.51) MCL1KDM4ESORT1EGLN1MRGPRX4
SCHEMBL24073216 0.81 ALDH1A1 (0.62) JAK2JAK1TYK2LMNAHPGD
SCHEMBL28050256 0.81 JAK2 (0.48) JAK2JAK1TYK2LMNAHPGD
SCHEMBL8002583 0.80 ALDH1A1 (0.64) JAK2JAK1TYK2LMNAHPGD
SCHEMBL13485796 0.80 JAK2 (0.62) JAK2JAK1TYK2LMNAHPGD
SCHEMBL2486318 0.79 CCR2 (0.54) JAK2JAK1TYK2HDAC1HDAC6
SCHEMBL26915343 0.79 JAK2 (0.46) JAK2JAK1TYK2LMNAHPGD

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
EP-2376475-B1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANOL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-09-02 EP disclosed
US-8450304-B2 4-azetidinyl-1-heteroaryl-cyclohexanol antagonists of CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2013-05-28 US disclosed
CN-102317278-A The 4-azetidinyl of CCR2-1-heteroaryl-hexalin antagonist JANSSEN PHARMACEUTICA NV 2012-01-11 CN disclosed
EP-2376475-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANOL ANTAGONISTS OF CCR2 Janssen Pharmaceutica N.V. (BE) 2011-10-19 EP disclosed
WO-2010068663-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANOL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2010-06-17 WO disclosed
US-20100144695-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANOL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2010-06-10 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-20100144695-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANOL ANTAGONISTS OF CCR2 CCR2, CCR1, CCRL2 JAK2 127/4885JAK1 860/4885TYK2 1624/4885

“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.