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SCHEMBL3883577

SCHEMBL3883577

COc1c(C(=O)N(C)C)cnc2ccc(C=O)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 2/20 0.39
▸ NUDT1 P36639 2/20 0.38
▸ MAPT P10636 2/20 0.36
▸ ALDH1A1 P00352 6/20 0.35
▸ AOX1 Q06278 1/20 0.35
▸ TRIM24 O15164 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALDH5A1 P51649 1/20 0.35
▸ ABAT P80404 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ TRIM33 Q9UPN9 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TSHR P16473 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ ERN1 O75460 1/20 0.34
▸ FDPS P14324 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33

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
SCHEMBL3884256 0.86 LMNA (0.44) PDE4BNUDT1MAPTALDH1A1AOX1
SCHEMBL3883176 0.85 KDM4E (0.45) PDE4BALDH1A1TSHRKDM4E
SCHEMBL3881601 0.85 TSHR (0.44) NUDT1MAPTALDH1A1AOX1TRIM24
SCHEMBL3880910 0.82 APP (0.42) PDE4BNUDT1MAPTALDH1A1HPGD
SCHEMBL3880333 0.73 ALDH1A1 (0.37) MAPTALDH1A1AOX1TRIM24HPGD
SCHEMBL3883281 0.72 MEN1 (0.55) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL3881004 0.68 ALDH1A1 (0.36) PDE4BMAPTALDH1A1AOX1TRIM24
SCHEMBL14452541 0.67 ALDH1A1 (0.53) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL14452550 0.67 NNMT (0.50) PDE4BMAPTALDH1A1MEN1KMT2A
SCHEMBL3880885 0.67 LMNA (0.46) PDE4BNUDT1MAPTALDH1A1HPGD

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
EP-1771443-B1 QUINOLINE THIAZOLINONES WITH CDK-1 ANTIPROLIFERATIVE ACTIVITY HOFFMANN LA ROCHE (CH) 2009-01-07 — — EP disclosed
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 PDE4B 2464/4885NUDT1 2031/4885MAPT 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.