SCHEMBL3348832

SCHEMBL3348832

NC(=O)[C@H]1CC[C@@H](c2c[nH]c3ncccc32)CC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.52
OPRM1 P35372 4/20 0.52
OPRK1 P41145 3/20 0.52
HSD11B1 P28845 9/20 0.50
CAMKK2 Q96RR4 2/20 0.47
CAMKK1 Q8N5S9 1/20 0.47
CCR2 P41597 2/20 0.47
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
TYK2 P29597 1/20 0.46
JAK3 P52333 1/20 0.46

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
SCHEMBL3348836 1.00 OPRL1 (0.52) OPRL1OPRM1OPRK1HSD11B1CAMKK2
SCHEMBL3354642 1.00 OPRL1 (0.52) OPRL1OPRM1OPRK1HSD11B1CAMKK2
SCHEMBL16719380 0.86 OPRL1 (0.64) OPRL1OPRM1OPRK1HSD11B1CAMKK2
SCHEMBL3348838 0.82 OPRL1 (0.57) OPRL1OPRM1OPRK1HSD11B1JAK2
SCHEMBL12321753 0.82 OPRL1 (0.57) OPRL1OPRM1OPRK1HSD11B1JAK2
SCHEMBL3351315 0.82 OPRL1 (0.57) OPRL1OPRM1OPRK1HSD11B1JAK2
SCHEMBL3351276 0.82 OPRL1 (0.57) OPRL1OPRM1OPRK1HSD11B1JAK2
SCHEMBL4420976 0.79 OPRL1 (0.71) OPRL1OPRM1OPRK1HSD11B1CAMKK2
SCHEMBL6158491 0.78 HSD11B1 (0.66) OPRL1OPRM1OPRK1HSD11B1CCR2
SCHEMBL6633514 0.78 OPRL1 (0.56) OPRL1OPRM1OPRK1HSD11B1CAMKK2

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 7 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
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.