SCHEMBL2711028

SCHEMBL2711028

Fc1cccc2c(Cl)cc(C(F)(F)F)nc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.39
CCR1 P32246 1/20 0.39
CCR8 P51685 1/20 0.39
MAP4K4 O95819 2/20 0.38
CSNK2A1 P68400 2/20 0.38
HIPK4 Q8NE63 2/20 0.38
CLK4 Q9HAZ1 2/20 0.38
PRKD3 O94806 1/20 0.38
CDK1 P06493 1/20 0.38
CSF1R P07333 1/20 0.38
PIM1 P11309 1/20 0.38
CDK2 P24941 1/20 0.38
MARK3 P27448 1/20 0.38
AKT1 P31749 1/20 0.38
FLT4 P35916 1/20 0.38
FLT3 P36888 1/20 0.38
FRK P42685 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
CLK2 P49760 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
SCHEMBL2710931 0.86 NT5E (0.48) NT5EL3MBTL1CCR1CCR8MAP4K4
SCHEMBL1258312 0.83 KCNH2 (0.47) NT5EL3MBTL1KDM4ELMNACYP1A2
SCHEMBL6354888 0.81 KDM4E (0.38) NT5EL3MBTL1MAP4K4CSNK2A1HIPK4
SCHEMBL2709776 0.81 PRKD3 (0.40) NT5EL3MBTL1MAP4K4CSNK2A1HIPK4
SCHEMBL2711191 0.81 ELANE (0.48) NT5EL3MBTL1NPSR1MAPTKDM4E
SCHEMBL3628877 0.81 NT5E (0.44) NT5EL3MBTL1CCR1CCR8NPSR1
SCHEMBL3631708 0.81 ENPP1 (0.56) NT5EL3MBTL1CCR1CCR8MAP4K4
SCHEMBL3628880 0.81 NT5E (0.44) NT5EL3MBTL1CCR1CCR8NPSR1
SCHEMBL19584236 0.81 NT5E (0.36) NT5EMAP4K4CSNK2A1HIPK4CLK4
SCHEMBL30827893 0.80 PDE10A (0.42) L3MBTL1CCR1CCR8PDE10APTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1930319-B1 Proline derivatives and use thereof as drugs MITSUBISHI TANABE PHARMA CORP (JP) 2012-05-02 EP disclosed
WO-2010089341-A1 NOVEL VANCOMYCIN-AMINOQUINOLINE HYBRID MOLECULES THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS PALUMED S.A. (FR) 2010-08-12 WO disclosed
EP-1308439-B1 PROLINE DERIVATIVES AND USE THEREOF AS DRUGS MITSUBISHI TANABE PHARMA CORP (JP) 2008-10-15 EP disclosed
EP-1950199-A1 Proline derivatives and use thereof as drugs Mitsubishi Tanabe Pharma Corporation (JP) 2008-07-30 EP disclosed
EP-1930319-A1 Proline derivatives and use thereof as drugs Mitsubishi Tanabe Pharma Corporation (JP) 2008-06-11 EP disclosed
US-20060173056-A1 Proline derivatives and use thereof as drugs KITAJIMA HIROSHI 2006-08-03 US disclosed
US-7074794-B2 Proline derivatives and the use thereof as drugs MITSUBISHI PHARMA CORPORATION (JP) 2006-07-11 US disclosed
US-7060722-B2 Proline derivatives and use thereof as drugs MITSUBISHI PHARMA CORPORATION (JP) 2006-06-13 US disclosed
US-20050245538-A1 Proline derivatives and use thereof as drugs KITAJIMA HIROSHI 2005-11-03 US disclosed
US-20040106655-A1 Proline derivatives and the use thereof as drugs MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-06-03 US disclosed
EP-1308439-A1 PROLINE DERIVATIVES AND USE THEREOF AS DRUGS WELFIDE CORPORATION (JP) 2003-05-07 EP 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 (3 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-20060173056-A1 Proline derivatives and use thereof as drugs DPP4, DPP3, DPP7 NT5E 1422/4885L3MBTL1 2628/4885CCR1 2116/4885
US-20050245538-A1 Proline derivatives and use thereof as drugs DPP4, DPP3, DPP7 NT5E 1422/4885L3MBTL1 2628/4885CCR1 2116/4885
US-20040106655-A1 Proline derivatives and the use thereof as drugs DPP4, DPP3, DPP7 NT5E 1718/4885L3MBTL1 2337/4885CCR1 1186/4885

“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.