SCHEMBL4871012

SCHEMBL4871012

O=C1CSC(NCC2CCOCC2)=N1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
KCNH3 Q9ULD8 1/20 0.37
VNN1 O95497 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PIK3CD O00329 1/20 0.33
PI4KA P42356 1/20 0.33
PIK3CG P48736 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
CCNK O75909 1/20 0.32
CDK9 P50750 1/20 0.32
FYN P06241 1/20 0.31
CHEK1 O14757 1/20 0.31
CSF1R P07333 1/20 0.31
CNR2 P34972 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
BCAT2 O15382 1/20 0.31
SCN5A Q14524 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31

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
SCHEMBL4876531 0.89 CYP1A2 (0.44) CYP1A2POLB
SCHEMBL14269718 0.80 CYP1A2 (0.38) CYP1A2POLBALDH1A1PI4KAPIK3CG
SCHEMBL13105882 0.70 KCNH3 (0.33) KCNH3ALDH1A1PIK3CDPI4KAPIK3CG
SCHEMBL10285228 0.70 KCNH3 (0.33) KCNH3ALDH1A1PIK3CDPI4KAPIK3CG
SCHEMBL14429368 0.68 KCNH3 (0.32) KCNH3PIK3CDPI4KAPIK3CGPI4KB
SCHEMBL1605313 0.66 KDM4E (0.37) POLBKCNH3ALDH1A1
SCHEMBL17164865 0.64 KCNH3 (0.42) KCNH3VNN1ALDH1A1CCNKCDK9
SCHEMBL1604878 0.64 KDM4E (0.35) ALDH1A1
SCHEMBL1605211 0.63 KDM4E (0.37) ALDH1A1
SCHEMBL26092843 0.62 KCNH3 (0.37) KCNH3VNN1ALDH1A1PIK3CDPI4KA

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 CYP1A2 3432/4885POLB 707/4885KCNH3 3282/4885

“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.