SCHEMBL3348838

SCHEMBL3348838

N[C@H]1CC[C@@H](c2c[nH]c3ncccc32)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.57
OPRM1 P35372 4/20 0.57
OPRK1 P41145 3/20 0.57
CDC7 O00311 4/20 0.51
RET P07949 3/20 0.51
DAPK3 O43293 3/20 0.51
PRKD3 O94806 3/20 0.51
MAP4K4 O95819 3/20 0.51
PAK4 O96013 3/20 0.51
PIM1 P11309 3/20 0.51
PRKACA P17612 3/20 0.51
FLT3 P36888 3/20 0.51
CSNK1A1 P48729 3/20 0.51
CLK2 P49760 3/20 0.51
GSK3B P49841 3/20 0.51
PRKX P51817 3/20 0.51
JAK3 P52333 3/20 0.51
MAP4K2 Q12851 3/20 0.51
STK3 Q13188 3/20 0.51
DYRK1A Q13627 3/20 0.51

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
SCHEMBL3351315 1.00 OPRL1 (0.57) OPRL1OPRM1OPRK1CDC7RET
SCHEMBL12321753 1.00 OPRL1 (0.57) OPRL1OPRM1OPRK1CDC7RET
SCHEMBL3351276 1.00 OPRL1 (0.57) OPRL1OPRM1OPRK1CDC7RET
SCHEMBL16719380 0.92 OPRL1 (0.64) OPRL1OPRM1OPRK1PDK2SLC6A4
SCHEMBL4420976 0.84 OPRL1 (0.71) OPRL1OPRM1OPRK1CDC7MAP4K4
SCHEMBL29869395 0.83 OPRL1 (0.59) OPRL1OPRM1OPRK1PDK2SLC6A4
SCHEMBL2262735 0.83 OPRL1 (0.59) OPRL1OPRM1OPRK1PDK2SLC6A4
SCHEMBL17857690 0.82 OPRL1 (0.65) OPRL1OPRM1OPRK1SLC6A4HSD11B1
SCHEMBL3348832 0.82 OPRL1 (0.52) OPRL1OPRM1OPRK1JAK3JAK2
SCHEMBL3354642 0.82 OPRL1 (0.52) OPRL1OPRM1OPRK1JAK3JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180370966-A1 METHODS OF TREATMENT USING PYRIDINONYL PDK1 INHIBITORS SUNESIS PHARMACEUTICALS, INC. 2018-12-27 US disclosed
US-9873693-B2 Methods of treatment using pyridinonyl PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2018-01-23 US disclosed
US-8778977-B2 Pyridinonyl PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2014-07-15 US disclosed
US-8552019-B2 Inhibitors of phosphoinositide dependent kinase 1 (PDK1) MERCK SHARP & DOHME CORP. (US) 2013-10-08 US disclosed
EP-2038272-B1 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHARMACEUTICALS INC (US) 2013-09-04 EP disclosed
US-20100144730-A1 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHAMACEUTICALS (US) 2010-06-10 US disclosed
EP-2038272-A2 PYRIDINONYL PDK1 INHIBITORS Sunesis Pharmaceuticals, Inc. (US) 2009-03-25 EP disclosed
WO-2008005457-A2 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHARMACEUTICALS (US) 2008-01-10 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-20180370966-A1 METHODS OF TREATMENT USING PYRIDINONYL PDK1 INHIBITORS PDK1, PDK2, PDK3 OPRL1 4619/4885OPRM1 4845/4885OPRK1 4194/4885
US-20100144730-A1 PYRIDINONYL PDK1 INHIBITORS PDK1, PDK2, PDK3 OPRL1 4651/4885OPRM1 4853/4885OPRK1 4386/4885

“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.