SCHEMBL3372000

SCHEMBL3372000

Oc1cc(OCC(F)(F)F)nc2c(Cl)cccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.37
CLK4 Q9HAZ1 2/20 0.37
CSNK2A1 P68400 1/20 0.37
HIPK4 Q8NE63 1/20 0.37
NR4A2 P43354 3/20 0.35
ALDH1A1 P00352 1/20 0.35
RECQL P46063 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
KDM4E B2RXH2 3/20 0.34
HPGD P15428 1/20 0.34
EPHX2 P34913 1/20 0.34
SCN9A Q15858 1/20 0.34
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
JAK2 O60674 1/20 0.33
PRKD3 O94806 1/20 0.33
PAK4 O96013 1/20 0.33
ABL1 P00519 1/20 0.33
CSF1R P07333 1/20 0.33
RET P07949 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
SCHEMBL15483739 0.84 NR4A2 (0.37) MAP4K4CLK4NR4A2ALDH1A1KDM4E
SCHEMBL1021189 0.82 NR4A2 (0.41) MAP4K4CLK4NR4A2ALDH1A1L3MBTL1
SCHEMBL13763664 0.82 HPGD (0.40) NR4A2ALDH1A1RECQLL3MBTL1KDM4E
SCHEMBL13763599 0.81 ALDH1A1 (0.38) NR4A2ALDH1A1RECQLL3MBTL1KDM4E
SCHEMBL13757417 0.81 HPGD (0.37) NR4A2ALDH1A1RECQLKDM4EHPGD
SCHEMBL13757531 0.79 NR4A2 (0.39) CSNK2A1NR4A2ALDH1A1RECQLL3MBTL1
SCHEMBL3373386 0.78 SMN1; SMN2 (0.44) MAP4K4CLK4NR4A2ALDH1A1KDM4E
SCHEMBL13248807 0.78 NR4A2 (0.40) NR4A2L3MBTL1KDM4EPARP1BTK
SCHEMBL3375748 0.77 NR4A2 (0.44) NR4A2KDM4EPARP1LMNACYP1A2
SCHEMBL2711485 0.77 MAP4K4 (0.41) MAP4K4CLK4CSNK2A1HIPK4NR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809267-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2014-08-19 US disclosed
US-20140051626-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 US disclosed
US-20140051626-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 US disclosed
US-20140051626-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 US disclosed
US-8513186-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-08-20 US disclosed
US-8513186-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-08-20 US disclosed
US-8513186-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-08-20 US disclosed
EP-2162432-A2 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2010-03-17 EP disclosed
US-20090186869-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2009-07-23 US disclosed
US-20090186869-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2009-07-23 US disclosed
US-20090186869-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2009-07-23 US disclosed
WO-2009005677-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2009-01-08 WO disclosed
WO-2009005677-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2009-01-08 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-20090186869-A1 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 MAP4K4 2705/4885CLK4 4014/4885CSNK2A1 3003/4885
US-20140051626-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 MAP4K4 2705/4885CLK4 4014/4885CSNK2A1 3003/4885

“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.