SCHEMBL5505783

SCHEMBL5505783

CCOc1ccnc2ccc(C/C=C3\SC(NCc4cnc(C)cn4)=NC3=O)cc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 17/20 0.34
CYP3A4 P08684 16/20 0.34
CLK4 Q9HAZ1 13/20 0.34
USP2 O75604 10/20 0.34
CYP2D6 P10635 10/20 0.34
CYP2C19 P33261 8/20 0.34
TSHR P16473 7/20 0.34
HSD17B10 Q99714 7/20 0.34
LMNA P02545 5/20 0.34
MAPK1 P28482 4/20 0.34
ALDH1A1 P00352 4/20 0.33
HIF1A Q16665 2/20 0.33
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
ALOX15 P16050 3/20 0.32
RECQL P46063 2/20 0.32
PDPK1 O15530 2/20 0.32
KDM4E B2RXH2 3/20 0.31
TDP1 Q9NUW8 2/20 0.31
CYP2C9 P11712 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
SCHEMBL14437293 0.87 MEN1 (0.40) CYP1A2CYP3A4CLK4USP2CYP2D6
SCHEMBL5507005 0.84 CLK1 (0.34) CLK4LMNAALDH1A1MEN1KMT2A
SCHEMBL5502564 0.83 CLK4 (0.38) CYP1A2CYP3A4CLK4USP2CYP2D6
SCHEMBL5505196 0.82 SLC2A1 (0.36) TSHRLMNAMAPK1ALDH1A1MEN1
SCHEMBL5508501 0.82 ABL1 (0.33) CYP3A4PDPK1PDE10A
SCHEMBL5508740 0.80 CISD1 (0.36) CYP3A4LMNAMEN1KMT2APDPK1
SCHEMBL5502774 0.80 HTT (0.35) CLK4MEN1KMT2APDPK1KDM4E
SCHEMBL5510707 0.76 KDM1A (0.37) PDPK1
SCHEMBL5503592 0.76 CLK4 (0.42) CYP1A2CYP3A4CLK4USP2CYP2D6
SCHEMBL3025813 0.75 EGFR (0.37) MAPK1PDPK1

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-7253285-B2 Thiazolinone 4-monosubstituted quinolines HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
EP-1797085-A1 THIAZOLINONE 4-MONOSUBSTITUTED QUINOLINES F. Hoffmann-Roche AG (CH) 2007-06-20 EP disclosed
US-20060063805-A1 Thiazolinone 4-monosubstituted quinolines CHEN LI 2006-03-23 US disclosed
WO-2006029861-A1 THIAZOLINONE 4-MONOSUBSTITUTED QUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2006-03-23 WO 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-20060063805-A1 Thiazolinone 4-monosubstituted quinolines CDK1, CDK14, CDK17 CYP1A2 3343/4885CYP3A4 2153/4885CLK4 327/4885

“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.