SCHEMBL368529

SCHEMBL368529

CCOc1ccnc2ccc(C=O)cc12

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.53
TACR2 P21452 1/20 0.44
DHFR P00374 1/20 0.44
HPGD P15428 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 2/20 0.40
FDPS P14324 1/20 0.40
PDGFRB P09619 1/20 0.39
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL5503519 0.87 FDPS (0.43) ALDH1A1HPGDTDP1L3MBTL1MAPT
SCHEMBL360437 0.86 ALDH1A1 (0.53) ALDH1A1HPGDTDP1MAPTNPSR1
SCHEMBL5500810 0.84 FDPS (0.50) ALDH1A1HPGDMAPTNPSR1LMNA
SCHEMBL28597905 0.82 FDPS (0.41) ALDH1A1HPGDMAPTNPSR1LMNA
SCHEMBL5500165 0.82 ADRB2 (0.43) MAPTNPSR1LMNAKDM4EFDPS
SCHEMBL5503064 0.81 APP (0.43) ALDH1A1HPGDTDP1L3MBTL1MAPT
SCHEMBL11971692 0.79 PDE10A (0.46) ALDH1A1TACR2DHFRL3MBTL1LMNA
SCHEMBL5502302 0.77 KMT2A (0.42) ALDH1A1HPGDL3MBTL1KDM4EFDPS
SCHEMBL5508687 0.77 IRAK4 (0.49) HPGD
SCHEMBL4363481 0.77 ALDH1A1 (0.67) ALDH1A1TACR2DHFRHPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593107-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-05-22 EP disclosed
WO-2012009194-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-19 WO disclosed
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 ALDH1A1 3777/4885TACR2 4469/4885DHFR 735/4885

“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.