SCHEMBL4876324

SCHEMBL4876324

CC(C)C(CO)NC1=NC(=O)/C(=C/c2ccc3ncccc3c2)S1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.46
CSNK2A2 P19784 2/20 0.46
PIK3CA P42336 2/20 0.46
PIK3CG P48736 2/20 0.46
CLK1 P49759 2/20 0.46
CSNK2B P67870 2/20 0.46
CSNK2A1 P68400 2/20 0.46
DYRK1A Q13627 2/20 0.46
DYRK2 Q92630 2/20 0.46
DYRK1B Q9Y463 2/20 0.46
PIM1 P11309 1/20 0.46
CLK3 P49761 1/20 0.46
HASPIN Q8TF76 1/20 0.46
MYLK2 Q9H1R3 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
STK17A Q9UEE5 1/20 0.46
CDK1 P06493 4/20 0.46
DYRK3 O43781 4/20 0.43
PRKCD Q05655 3/20 0.42
CCNB1 P14635 2/20 0.42

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
SCHEMBL4863980 1.00 PIK3CD (0.46) PIK3CDCSNK2A2PIK3CAPIK3CGCLK1
SCHEMBL4870994 0.87 CDK1 (0.45) PIK3CDCSNK2A2PIK3CAPIK3CGCLK1
SCHEMBL4867586 0.87 CDK1 (0.45) PIK3CDCSNK2A2PIK3CAPIK3CGCLK1
SCHEMBL4877100 0.86 PIK3CD (0.46) PIK3CDCSNK2A2PIK3CAPIK3CGCLK1
SCHEMBL4867476 0.86 PIK3CD (0.46) PIK3CDCSNK2A2PIK3CAPIK3CGCLK1
SCHEMBL4872298 0.84 CDK1 (0.49) PIK3CDCSNK2A2PIK3CAPIK3CGCLK1
SCHEMBL4866405 0.84 CDK1 (0.49) PIK3CDCSNK2A2PIK3CAPIK3CGCLK1
SCHEMBL4871699 0.84 CDK1 (0.49) PIK3CDCSNK2A2PIK3CAPIK3CGCLK1
SCHEMBL4865498 0.82 PIK3CD (0.47) PIK3CDCSNK2A2PIK3CAPIK3CGCLK1
SCHEMBL4871114 0.82 CDK1 (0.56) PIK3CDCSNK2A2PIK3CAPIK3CGCLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7326786-B2 Thiazolinone unsubstituted quinolines HOFFMANN-LA ROCHE INC. (US) 2008-02-05 US claimed
US-20060004045-A1 Thiazolinone unsubstituted quinolines CHEN LI 2006-01-05 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20060004045-A1 Thiazolinone unsubstituted quinolines CDK1, CDK17, CDK14 PIK3CD 1263/4885CSNK2A2 195/4885PIK3CA 891/4885

“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.