SCHEMBL4875155

SCHEMBL4875155

O=C1N=C(N[C@@H](C(=O)O)c2ccccc2)S/C1=C\c1ccc2ncccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.46
PIM1 P11309 1/20 0.46
CSNK2A2 P19784 1/20 0.46
PIK3CA P42336 1/20 0.46
PIK3CG P48736 1/20 0.46
CLK1 P49759 1/20 0.46
CLK3 P49761 1/20 0.46
CSNK2B P67870 1/20 0.46
CSNK2A1 P68400 1/20 0.46
DYRK1A Q13627 1/20 0.46
HASPIN Q8TF76 1/20 0.46
DYRK2 Q92630 1/20 0.46
MYLK2 Q9H1R3 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
STK17A Q9UEE5 1/20 0.46
DYRK1B Q9Y463 1/20 0.46
CDK1 P06493 4/20 0.46
PRKCD Q05655 3/20 0.44
MAPK1 P28482 2/20 0.44
DYRK3 O43781 4/20 0.44

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
SCHEMBL4871528 0.93 CDK1 (0.45) PIK3CDPIM1CSNK2A2PIK3CAPIK3CG
SCHEMBL4867602 0.93 CDK1 (0.45) PIK3CDPIM1CSNK2A2PIK3CAPIK3CG
SCHEMBL4872298 0.86 CDK1 (0.49) PIK3CDPIM1CSNK2A2PIK3CAPIK3CG
SCHEMBL4866405 0.86 CDK1 (0.49) PIK3CDPIM1CSNK2A2PIK3CAPIK3CG
SCHEMBL4871699 0.86 CDK1 (0.49) PIK3CDPIM1CSNK2A2PIK3CAPIK3CG
SCHEMBL4867387 0.84 CDK1 (0.46) PIK3CDPIM1CSNK2A2PIK3CAPIK3CG
SCHEMBL4875478 0.80 CDK1 (0.56) PIK3CDPIM1CSNK2A2PIK3CAPIK3CG
SCHEMBL4871114 0.80 CDK1 (0.56) PIK3CDPIM1CSNK2A2PIK3CAPIK3CG
SCHEMBL4870961 0.80 CDK1 (0.56) PIK3CDPIM1CSNK2A2PIK3CAPIK3CG
SCHEMBL4865951 0.80 CDK1 (0.48) PIK3CDPIM1CSNK2A2PIK3CAPIK3CG

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
US-7326786-B2 Thiazolinone unsubstituted quinolines HOFFMANN-LA ROCHE INC. (US) 2008-02-05 US disclosed
US-7326786-B2 Thiazolinone unsubstituted quinolines HOFFMANN-LA ROCHE INC. (US) 2008-02-05 US disclosed
US-7326786-B2 Thiazolinone unsubstituted quinolines HOFFMANN-LA ROCHE INC. (US) 2008-02-05 US disclosed
EP-1765817-A1 THIAZOLINONE UNSUBSTITUTED QUINOLINES F.HOFFMANN-LA ROCHE AG (CH) 2007-03-28 EP disclosed
WO-2006002829-A1 THIAZOLINONE UNSUBSTITUTED QUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2006-01-12 WO disclosed
US-20060004045-A1 Thiazolinone unsubstituted quinolines CHEN LI 2006-01-05 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 (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 1263/4885PIM1 319/4885CSNK2A2 195/4885

“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.