SCHEMBL4867273

SCHEMBL4867273

COc1ccc([C@H](C)NC2=NC(=O)/C(=C/c3ccc4ncccc4c3)S2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 13/20 0.49
CYP3A4 P08684 1/20 0.45
CLK1 P49759 3/20 0.44
PIK3CD O00329 1/20 0.44
PIM1 P11309 1/20 0.44
CSNK2A2 P19784 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CG P48736 1/20 0.44
CLK3 P49761 1/20 0.44
CSNK2B P67870 1/20 0.44
CSNK2A1 P68400 1/20 0.44
DYRK1A Q13627 1/20 0.44
HASPIN Q8TF76 1/20 0.44
DYRK2 Q92630 1/20 0.44
MYLK2 Q9H1R3 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
STK17A Q9UEE5 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
DYRK3 O43781 2/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL4878206 1.00 ALOX5 (0.49) ALOX5CYP3A4CLK1PIK3CDPIM1
SCHEMBL4876526 0.91 ALOX5 (0.43) ALOX5CYP3A4CLK1PIK3CDPIM1
SCHEMBL4876492 0.91 ALOX5 (0.43) ALOX5CYP3A4CLK1PIK3CDPIM1
SCHEMBL4869711 0.86 PIK3CD (0.43) ALOX5CLK1PIK3CDPIM1CSNK2A2
SCHEMBL4864070 0.81 CDK1 (0.46) ALOX5CLK1PIK3CDPIM1CSNK2A2
SCHEMBL4867293 0.81 ALOX5 (0.48) ALOX5CYP3A4CLK1PIK3CDPIM1
SCHEMBL4876300 0.80 PIK3CD (0.52) ALOX5CYP3A4CLK1PIK3CDPIM1
SCHEMBL2990597 0.80 ALOX5 (0.55) ALOX5CYP3A4CLK1PIK3CDPIM1
SCHEMBL2990591 0.80 ALOX5 (0.55) ALOX5CYP3A4CLK1PIK3CDPIM1
SCHEMBL4871523 0.79 PIK3CD (0.55) ALOX5CYP3A4CLK1PIK3CDPIM1

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-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-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 ALOX5 4785/4885CYP3A4 2710/4885CLK1 792/4885

“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.