SCHEMBL5510707

SCHEMBL5510707

CCOc1ccnc2ccc(C/C=C3\SC(N[C@@H]4C[C@H]4c4ccccc4)=NC3=O)cc12

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 6/20 0.37
EGFR P00533 8/20 0.35
SRC P12931 4/20 0.34
KDR P35968 3/20 0.34
ABL1 P00519 2/20 0.34
FLT1 P17948 2/20 0.34
SYK P43405 2/20 0.34
MET P08581 2/20 0.33
MAOB P27338 4/20 0.33
MAOA P21397 3/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
APP P05067 1/20 0.32
PDPK1 O15530 1/20 0.32

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
SCHEMBL5516473 0.94 EGFR (0.42) KDM1AEGFRSRCKDRABL1
SCHEMBL5519374 0.93 KDM1A (0.39) KDM1AEGFRSRCKDRABL1
SCHEMBL5514567 0.91 EGFR (0.41) KDM1AEGFRSRCKDRABL1
SCHEMBL5505480 0.90 MET (0.38) KDM1AEGFRSRCKDRABL1
SCHEMBL5511506 0.88 KDM1A (0.36) KDM1AEGFRSRCKDRABL1
SCHEMBL5512653 0.87 EGFR (0.34) KDM1AEGFRSRCKDRABL1
SCHEMBL14437202 0.87 MEN1 (0.40) KDM1AEGFRSRCMAOB
SCHEMBL5517255 0.87 EGFR (0.35) KDM1AEGFRSRCKDRABL1
SCHEMBL5512758 0.86 EGFR (0.33) KDM1AEGFRSRCKDRABL1
SCHEMBL5509144 0.81 EGFR (0.40) KDM1AEGFRSRCKDRABL1

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 8 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 claimed
EP-1797085-A1 THIAZOLINONE 4-MONOSUBSTITUTED QUINOLINES F. Hoffmann-Roche AG (CH) 2007-06-20 EP claimed
US-20060063805-A1 Thiazolinone 4-monosubstituted quinolines CHEN LI 2006-03-23 US claimed
WO-2006029861-A1 THIAZOLINONE 4-MONOSUBSTITUTED QUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2006-03-23 WO claimed
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 KDM1A 1498/4885EGFR 2116/4885SRC 940/4885

“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.