SCHEMBL2052922

SCHEMBL2052922

CN1C(=O)C2CCCCN2c2nc(-n3ccnc3)ncc21

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 13/20 0.38
CD38 P28907 3/20 0.38
PLK1 P53350 2/20 0.37
PLK2 Q9NYY3 2/20 0.37
PLK3 Q9H4B4 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
BRD4 O60885 1/20 0.36
TAF1 P21675 1/20 0.36

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
SCHEMBL2052920 1.00 NOS2 (0.38) NOS2CD38PLK1PLK2PLK3
SCHEMBL2052918 0.97 MEN1 (0.36) NOS2CD38PLK1PLK2PLK3
SCHEMBL2052915 0.97 MEN1 (0.36) NOS2CD38PLK1PLK2PLK3
SCHEMBL2689534 0.78 NOS2 (0.36) NOS2CD38
SCHEMBL2690236 0.78 CD38 (0.35) NOS2CD38
SCHEMBL2050138 0.77 BRD4 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2050140 0.77 BRD4 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2050701 0.76 PLK1 (0.64) PLK1PLK2PLK3
SCHEMBL2050698 0.76 PLK1 (0.64) PLK1PLK2PLK3
SCHEMBL6840372 0.76 BRD4 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A

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
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
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
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 NOS2 3510/4885CD38 3090/4885PLK1 1/4885
US-20110207716-A1 INHIBITORS OF POLO-LIKE KINASE PLK1, POLK, POLR2E NOS2 3510/4885CD38 3090/4885PLK1 1/4885

“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.