SCHEMBL2743398

SCHEMBL2743398

CC(O)(c1ccc(C(=O)Nc2nc3ccc(-c4cn[nH]c4)nc3s2)cc1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 2/20 0.42
MAP4K1 Q92918 2/20 0.38
NPC1 O15118 5/20 0.37
RAB9A P51151 5/20 0.37
SCD O00767 4/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
KDM4E B2RXH2 3/20 0.37
NFKB1 P19838 1/20 0.37
HTT P42858 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
HPGD P15428 1/20 0.37
PPARG P37231 1/20 0.37
PTK2B Q14289 1/20 0.37
NCOA2 Q15596 1/20 0.37
NCOA1 Q15788 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NR2E3 Q9Y5X4 1/20 0.37
NCOR2 Q9Y618 1/20 0.37

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
SCHEMBL2743617 0.91 MAP3K5 (0.44) MAP3K5MAP4K1NPC1RAB9ASCD
SCHEMBL2743815 0.89 MAP3K5 (0.52) MAP3K5MAP4K1NPC1RAB9ASCD
SCHEMBL2743624 0.86 CLK1 (0.43) MAP3K5NPC1RAB9ASCDMEN1
SCHEMBL2744238 0.85 SCD (0.42) MAP3K5MAP4K1NPC1RAB9ASCD
SCHEMBL2743495 0.80 LCK (0.43) MAP4K1NPC1RAB9ASCDROCK2
SCHEMBL2743616 0.79 MAP3K5 (0.47) MAP3K5NPC1RAB9ASCDMEN1
SCHEMBL2743622 0.78 SCD (0.56) NPC1RAB9ASCDMEN1KMT2A
SCHEMBL2743498 0.75 MAP3K5 (0.41) MAP3K5NPC1RAB9ASCDMEN1
SCHEMBL2743543 0.74 MAP3K5 (0.46) MAP3K5NPC1RAB9ASCDMEN1
SCHEMBL2743706 0.74 ABL1 (0.40) MAP3K5MAP4K1NPC1RAB9ASCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178555-B2 Apoptosis signal-regulating kinase 1 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-15 US claimed
US-20090318425-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-24 US claimed
US-8178555-B2 Apoptosis signal-regulating kinase 1 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-15 US disclosed
US-8178555-B2 Apoptosis signal-regulating kinase 1 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-15 US disclosed
US-8178555-B2 Apoptosis signal-regulating kinase 1 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-15 US disclosed
WO-2010008843-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-21 WO disclosed
US-20090318425-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-24 US disclosed
US-20090318425-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-24 US disclosed
US-20090318425-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-24 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-20090318425-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS BAX, BCL2, BAD MAP3K5 8/4885MAP4K1 67/4885NPC1 2057/4885

“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.