SCHEMBL11962151

SCHEMBL11962151

CNC(=O)CSc1ncnc2sc(C)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 1.00
CSNK2A2 P19784 3/20 0.74
CSNK2B P67870 3/20 0.74
CSNK2A1 P68400 3/20 0.74
NOTUM Q6P988 3/20 0.74
CTDSP1 Q9GZU7 2/20 0.65
RXFP1 Q9HBX9 1/20 0.61
HTT P42858 2/20 0.53
MAPT P10636 2/20 0.52
POLB P06746 2/20 0.52
TP53 P04637 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
RECQL P46063 1/20 0.48
KDM4E B2RXH2 1/20 0.48
RAB9A P51151 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
SCHEMBL16333232 0.85 NOTUM (1.00) PLK1CSNK2A2CSNK2BCSNK2A1NOTUM
SCHEMBL11982072 0.84 CSNK2A2 (0.78) PLK1CSNK2A2CSNK2BCSNK2A1NOTUM
SCHEMBL16339247 0.76 NOTUM (1.00) CSNK2A2CSNK2BCSNK2A1NOTUMCTDSP1
SCHEMBL29370624 0.72 CSNK2A2 (0.59) PLK1CSNK2A2CSNK2BCSNK2A1NOTUM
SCHEMBL7056588 0.69 HTT (0.75) PLK1CSNK2A2CSNK2BCSNK2A1NOTUM
SCHEMBL15337878 0.69 NOTUM (0.51) PLK1CSNK2A2CSNK2BCSNK2A1NOTUM
SCHEMBL29368679 0.66 KDM4E (0.82) CSNK2A2CSNK2BCSNK2A1NOTUMHTT
SCHEMBL16339840 0.66 NOTUM (1.00) CSNK2A2CSNK2BCSNK2A1NOTUMCTDSP1
SCHEMBL439234 0.65 FGFR1 (0.54) PLK1CSNK2A2CSNK2BCSNK2A1NOTUM
SCHEMBL14817521 0.64 MAPK1 (0.50) PLK1CSNK2A2CSNK2BCSNK2A1NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160011195-A1 Method of Forming Fragment Ligated Inhibitors UNIVERSITY OF SOUTH CAROLINA 2016-01-14 US disclosed
US-20150315555-A1 Fragment Ligated Inhibitors Selective for the Polo Box Domain of PLK1 UNIVERSITY OF SOUTH CAROLINA 2015-11-05 US disclosed
US-9175357-B2 Fragment ligated inhibitors selective for the polo box domain of PLK1 UNIVERSITY OF SOUTH CAROLINA (US) 2015-11-03 US disclosed
US-20120202970-A1 Fragment Ligated Inhibitors Selective for the Polo Box Domain of PLK1 UNIVERSITY OF SOUTH CAROLINA (US) 2012-08-09 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 (3 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-20150315555-A1 Fragment Ligated Inhibitors Selective for the Polo Box Domain of PLK1 PLK1, POLD1, CTDSP1 PLK1 1/4885CSNK2A2 2966/4885CSNK2B 1988/4885
US-20160011195-A1 Method of Forming Fragment Ligated Inhibitors PLK1, POLD1, POLR1E PLK1 1/4885CSNK2A2 2958/4885CSNK2B 1984/4885
US-20120202970-A1 Fragment Ligated Inhibitors Selective for the Polo Box Domain of PLK1 PLK1, POLD1, CTDSP1 PLK1 1/4885CSNK2A2 2966/4885CSNK2B 1988/4885

“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.