SCHEMBL4876531

SCHEMBL4876531

O=C1CSC(NCC2CC2)=N1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
KDM4C Q9H3R0 1/20 0.30

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
SCHEMBL4870999 0.91 CYP1A2 (0.41) CYP1A2POLB
SCHEMBL4871012 0.89 CYP1A2 (0.39) CYP1A2POLB
SCHEMBL14269718 0.87 CYP1A2 (0.38) CYP1A2POLB
SCHEMBL14448375 0.72 CYP1A2 (0.40) CYP1A2POLB
SCHEMBL14676305 0.70 KDM4C (0.30) KDM4C
SCHEMBL4677460 0.62 CA2 (0.38) KDM4C
SCHEMBL14531385 0.61 CYP1A2 (0.39) CYP1A2POLB
SCHEMBL1604427 0.61 CYP1A2 (0.39) CYP1A2POLB
SCHEMBL1605102 0.61 CYP1A2 (0.39) CYP1A2POLB
SCHEMBL14441052 0.60 POLB (0.39) POLBKDM4C

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 12 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
US-7241893-B2 Thiazolinone 2-substituted quinolines HOFFMAN-LA ROCHE INC. (US) 2007-07-10 US disclosed
US-7241893-B2 Thiazolinone 2-substituted quinolines HOFFMAN-LA ROCHE INC. (US) 2007-07-10 US disclosed
US-7241893-B2 Thiazolinone 2-substituted quinolines HOFFMAN-LA ROCHE INC. (US) 2007-07-10 US disclosed
EP-1791836-A1 THIAZOLINONE 2-SUBSTITUTED QUINOLINES F. Hoffmann-Roche AG (CH) 2007-06-06 EP disclosed
EP-1765817-A1 THIAZOLINONE UNSUBSTITUTED QUINOLINES F.HOFFMANN-LA ROCHE AG (CH) 2007-03-28 EP disclosed
US-20060063804-A1 Thiazolinone 2-substituted quinolines CHEN LI 2006-03-23 US disclosed
WO-2006029863-A1 THIAZOLINONE 2-SUBSTITUTED QUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2006-03-23 WO 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 (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-20060063804-A1 Thiazolinone 2-substituted quinolines CDK1, CDK17, CDK12 CYP1A2 3135/4885POLB 642/4885KDM4C 1388/4885
US-20060004045-A1 Thiazolinone unsubstituted quinolines CDK1, CDK17, CDK14 CYP1A2 3432/4885POLB 707/4885KDM4C 648/4885

“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.