SCHEMBL12023398

SCHEMBL12023398

Fc1ccc(-c2nc3occn3c2-c2ccnc(NCC3CCCNC3)n2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 7/20 0.66
MAP4K4 O95819 7/20 0.66
MAPK9 P45984 7/20 0.66
CSNK1A1 P48729 7/20 0.66
CSNK1G2 P78368 7/20 0.66
GSK3B P49841 6/20 0.66
PRKD2 Q9BZL6 6/20 0.66
CSNK1G3 Q9Y6M4 6/20 0.66
TAOK1 Q7L7X3 6/20 0.66
MINK1 Q8N4C8 6/20 0.66
MAPK8 P45983 5/20 0.66
MAPK1 P28482 5/20 0.66
GSK3A P49840 5/20 0.66
CSNK1G1 Q9HCP0 4/20 0.66
CLK2 P49760 2/20 0.66
AURKB Q96GD4 1/20 0.66
HIPK2 Q9H2X6 1/20 0.66
PIM2 Q9P1W9 1/20 0.66
ALK Q9UM73 1/20 0.66
CSNK1D P48730 6/20 0.57

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
SCHEMBL12023294 0.89 PRKD3 (0.69) PRKD3MAP4K4MAPK9CSNK1A1CSNK1G2
SCHEMBL2745737 0.85 PRKD3 (0.80) PRKD3MAP4K4MAPK9CSNK1A1CSNK1G2
SCHEMBL2746064 0.85 PRKD3 (0.80) PRKD3MAP4K4MAPK9CSNK1A1CSNK1G2
SCHEMBL13071820 0.83 PRKD3 (0.56) PRKD3MAP4K4MAPK9CSNK1A1CSNK1G2
SCHEMBL12023318 0.82 MAPK9 (0.62) PRKD3MAP4K4MAPK9CSNK1A1CSNK1G2
SCHEMBL13071575 0.82 MAPK9 (0.62) PRKD3MAP4K4MAPK9CSNK1A1CSNK1G2
SCHEMBL12023321 0.82 MAPK9 (0.62) PRKD3MAP4K4MAPK9CSNK1A1CSNK1G2
SCHEMBL2745596 0.80 MAPK8 (1.00) PRKD3MAP4K4MAPK9CSNK1A1CSNK1G2
SCHEMBL12023411 0.79 MAPK9 (0.72) PRKD3MAP4K4MAPK9CSNK1A1CSNK1G2
SCHEMBL12023410 0.79 PRKD3 (0.69) PRKD3MAP4K4MAPK9CSNK1A1CSNK1G2

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
US-20110301160-A1 Inhibitors of P38 and Methods of Using the Same ARQULE, INC. (US) 2011-12-08 US disclosed
US-20110301160-A1 Inhibitors of P38 and Methods of Using the Same ARQULE, INC. (US) 2011-12-08 US disclosed
US-7902192-B2 Inhibitors of P38 and methods of using the same ARQULE, INC. (US) 2011-03-08 US disclosed
US-7902192-B2 Inhibitors of P38 and methods of using the same ARQULE, INC. (US) 2011-03-08 US disclosed
US-20070270418-A1 Inhibitors of P38 and Methods of Using the Same ARQULE, INC. 2007-11-22 US disclosed
US-20070270418-A1 Inhibitors of P38 and Methods of Using the Same ARQULE, INC. 2007-11-22 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 (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-20070270418-A1 Inhibitors of P38 and Methods of Using the Same MAPK1, MAPK8, MAPK7 PRKD3 541/4885MAP4K4 44/4885MAPK9 31/4885
US-20110301160-A1 Inhibitors of P38 and Methods of Using the Same MAPK1, MAPK7, MAPK8 PRKD3 507/4885MAP4K4 43/4885MAPK9 35/4885

“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.