SCHEMBL6844666

SCHEMBL6844666

CC[C@]12CCCCN1c1nc(-n3ccnc3)ncc1N(C)C2=O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLK2 Q9NYY3 10/20 0.35
PLK1 P53350 8/20 0.35
SIGMAR1 Q99720 1/20 0.32
PLK3 Q9H4B4 1/20 0.32
NOS2 P35228 3/20 0.31
STK4 Q13043 2/20 0.31
CD38 P28907 1/20 0.31
PDE4A P27815 1/20 0.31
PDE7A Q13946 1/20 0.31
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL2053288 1.00 PLK2 (0.35) PLK2PLK1SIGMAR1PLK3NOS2
SCHEMBL2053287 1.00 PLK2 (0.35) PLK2PLK1SIGMAR1PLK3NOS2
SCHEMBL2344507 0.97 PLK2 (0.35) PLK2PLK1SIGMAR1PLK3NOS2
SCHEMBL2344516 0.97 PLK2 (0.35) PLK2PLK1SIGMAR1PLK3NOS2
SCHEMBL2342072 0.86 PLK2 (0.35) PLK2PLK1NOS2CD38
SCHEMBL2049945 0.81 PLK2 (0.33) PLK2PLK1PLK3CD38
SCHEMBL2049947 0.81 PLK2 (0.33) PLK2PLK1PLK3CD38
SCHEMBL2688447 0.81 SIGMAR1 (0.33) SIGMAR1
SCHEMBL2689355 0.81 SIGMAR1 (0.33) SIGMAR1
SCHEMBL1288400 0.81 SIGMAR1 (0.33) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2516441-B1 PTERIDINONES AS INHIBITORS OF POLO-LIKE KINASE ELAN PHARM INC (US) 2015-01-21 EP disclosed
EP-2516441-B1 PTERIDINONES AS INHIBITORS OF POLO-LIKE KINASE ELAN PHARM INC (US) 2015-01-21 EP disclosed
US-20130331376-A1 INHIBITORS OF POLO-LIKE KINASE Elan Corporation, Inc. (US) 2013-12-12 US disclosed
US-8541418-B2 Inhibitors of polo-like kinase ELAN PHARMACEUTICAL, INC. (US) 2013-09-24 US disclosed
US-8541418-B2 Inhibitors of polo-like kinase ELAN PHARMACEUTICAL, INC. (US) 2013-09-24 US disclosed
US-8541418-B2 Inhibitors of polo-like kinase ELAN PHARMACEUTICAL, INC. (US) 2013-09-24 US disclosed
EP-2516441-A1 PTERIDINONES AS INHIBITORS OF POLO-LIKE KINASE Elan Pharmaceuticals Inc. (US) 2012-10-31 EP disclosed
US-20110207716-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. 2011-08-25 US disclosed
US-20110207716-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. 2011-08-25 US disclosed
WO-2011079118-A1 PTERIDINONES AS INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC (US) 2011-06-30 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-20130331376-A1 INHIBITORS OF POLO-LIKE KINASE PLK1, POLK, POLR2E PLK2 22/4885PLK1 1/4885SIGMAR1 1752/4885
US-20110207716-A1 INHIBITORS OF POLO-LIKE KINASE PLK1, POLK, POLR2E PLK2 22/4885PLK1 1/4885SIGMAR1 1752/4885

“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.