SCHEMBL3881004

SCHEMBL3881004

COc1c(-c2ncc(C)o2)cnc2ccc(C=O)cc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.36
KDM4E B2RXH2 4/20 0.36
MAPT P10636 4/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
POLB P06746 3/20 0.36
NPC1 O15118 2/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RAB9A P51151 1/20 0.36
PTK2B Q14289 1/20 0.36
TSHR P16473 1/20 0.33
FDPS P14324 1/20 0.33
AOX1 Q06278 1/20 0.31
TRIM24 O15164 1/20 0.31
ALDH5A1 P51649 1/20 0.31
ABAT P80404 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TRIM33 Q9UPN9 1/20 0.31
IP6K1 Q92551 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
SCHEMBL3881944 0.81 GAK (0.39) PDE4B
SCHEMBL3884256 0.74 LMNA (0.44) ALDH1A1KDM4EMAPTPOLBNPC1
SCHEMBL3880333 0.71 ALDH1A1 (0.37) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL3883176 0.70 KDM4E (0.45) ALDH1A1KDM4ETSHRPDE4B
SCHEMBL3881601 0.70 TSHR (0.44) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL3883577 0.68 PDE4B (0.39) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL23291937 0.67 BRD4 (0.44) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL360437 0.65 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTHPGDTSHR
SCHEMBL9910637 0.65 PDGFRB (0.34) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL2880423 0.64 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTMEN1KMT2A

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
EP-1771443-B1 QUINOLINE THIAZOLINONES WITH CDK-1 ANTIPROLIFERATIVE ACTIVITY HOFFMANN LA ROCHE (CH) 2009-01-07 EP disclosed
US-7250515-B2 Thiazolinone 3,4-disubstituted quinolines HOFFMAN-LA ROCHE INC. (US) 2007-07-31 US disclosed
US-7250515-B2 Thiazolinone 3,4-disubstituted quinolines HOFFMAN-LA ROCHE INC. (US) 2007-07-31 US disclosed
US-7250515-B2 Thiazolinone 3,4-disubstituted quinolines HOFFMAN-LA ROCHE INC. (US) 2007-07-31 US disclosed
EP-1771443-A1 QUINOLINE THIAZOLINONES WITH CDK1 ANTIPROLIFERATIVE ACTIVITY F.HOFFMANN-LA ROCHE AG (CH) 2007-04-11 EP disclosed
WO-2006002828-A1 QUINOLINE THIAZOLINONES WITH CDK1 ANTIPROLIFERATIVE ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2006-01-12 WO disclosed
US-20060004046-A1 Thiazolinone 3,4-disubstituted 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-20060004046-A1 Thiazolinone 3,4-disubstituted quinolines CDK1, CDK17, CDK14 ALDH1A1 3840/4885KDM4E 1042/4885MAPT 2606/4885

“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.