SCHEMBL5504565

SCHEMBL5504565

O=Cc1ccc2nccc(N3CCOCC3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 2/20 0.56
ALDH3A1 P30838 1/20 0.56
PIK3CA P42336 4/20 0.46
PIK3CD O00329 3/20 0.46
PIK3CB P42338 3/20 0.46
NCF1 P14598 3/20 0.45
PIK3CG P48736 2/20 0.43
PRKDC P78527 2/20 0.43
MTOR P42345 1/20 0.43
PIK3C3 Q8NEB9 1/20 0.43
ALDH1A1 P00352 1/20 0.41
MET P08581 1/20 0.41
MAPKAPK2 P49137 1/20 0.40
ADRB2 P07550 1/20 0.40
METAP1 P53582 2/20 0.39
PKM P14618 1/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
HSD17B10 Q99714 1/20 0.39
BMPR1B O00238 1/20 0.39

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
SCHEMBL1543989 0.79 NCF1 (0.70) PIK3CAPIK3CDPIK3CBNCF1PIK3CG
SCHEMBL16549300 0.79 GAA (0.53) PIK3CAPIK3CDPIK3CBNCF1PIK3CG
SCHEMBL2877353 0.78 PTK2 (0.59) ALDH1A3ALDH3A1PRKDCALDH1A1ALOX15
SCHEMBL16549301 0.76 ALDH1A1 (0.57) ALDH1A1
SCHEMBL28505160 0.76 MAPKAPK2 (0.60) PIK3CAPIK3CDPIK3CBNCF1PIK3CG
SCHEMBL1543566 0.76 PIK3CA (0.46) PIK3CAPIK3CDPIK3CBNCF1PIK3CG
SCHEMBL29953313 0.76 PIK3CA (0.46) PIK3CAPIK3CDPIK3CBNCF1PIK3CG
SCHEMBL1299882 0.75 IDE (0.47) NCF1ALDH1A1PDGFRBKIT
SCHEMBL3836532 0.75 NCF1 (0.67) PIK3CAPIK3CDPIK3CBNCF1ALDH1A1
SCHEMBL30307430 0.75 NCF1 (0.67) PIK3CAPIK3CDPIK3CBNCF1ALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101023080-A Thiazolinone 4-monosubstituted quinolines HOFFMANN LA ROCHE (CH) 2007-08-22 CN disclosed
US-7253285-B2 Thiazolinone 4-monosubstituted quinolines HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
US-7253285-B2 Thiazolinone 4-monosubstituted quinolines HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
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 ALDH1A3 4354/4885ALDH3A1 3832/4885PIK3CA 666/4885

“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.