SCHEMBL3370330

SCHEMBL3370330

CC(C)Oc1ccnc2ccc(C=C3SC(NCc4cccs4)=NC3=O)nc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.34
CYP1A2 P05177 6/20 0.34
CYP3A4 P08684 6/20 0.34
CYP2D6 P10635 6/20 0.34
CYP2C19 P33261 6/20 0.34
MAPK1 P28482 5/20 0.34
TSHR P16473 4/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
ALOX15 P16050 3/20 0.34
USP2 O75604 2/20 0.34
HSD17B10 Q99714 2/20 0.34
TP53 P04637 3/20 0.33
HPGD P15428 2/20 0.32
RAB9A P51151 1/20 0.32
CLK4 Q9HAZ1 5/20 0.32
LMNA P02545 3/20 0.32
CDK1 P06493 2/20 0.32
CCNB1 P14635 2/20 0.32
PRKCD Q05655 2/20 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
SCHEMBL3370325 1.00 ALDH1A1 (0.34) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3375285 0.84 ALDH1A1 (0.36) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3374050 0.84 ALDH1A1 (0.36) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3372753 0.83 NPSR1 (0.32) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL13069454 0.83 NPSR1 (0.32) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3372748 0.83 NPSR1 (0.32) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3374703 0.81 CISD1 (0.34) CLK4
SCHEMBL3372390 0.81 CISD1 (0.34) CLK4
SCHEMBL5570169 0.80 PKM (0.38) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL5573283 0.80 PKM (0.38) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101155808-B Substituted 1,5-naphthyridine azolidinones as cdk inhibitors HOFFMANN LA ROCHE 2011-08-31 CN claimed
EP-1869036-B1 SUBSTITUTED 1,5-NAPHTHYRIDINE AZOLIDINONES AS CDK INHIBITORS HOFFMANN LA ROCHE (CH) 2010-11-03 EP claimed
CN-101155808-A Substituted 1,5-naphthyridine azolidinones as cdk inhibitors HOFFMANN LA ROCHE (CH) 2008-04-02 CN claimed
EP-1869036-A1 SUBSTITUTED 1,5-NAPHTHYRIDINE AZOLIDINONES AS CDK INHIBITORS F. Hoffmann-Roche AG (CH) 2007-12-26 EP claimed
US-7304074-B2 Substituted 1,5-naphthyridine azolinones HOFFMANN-LA ROCHE INC. (US) 2007-12-04 US claimed
WO-2006106046-A1 SUBSTITUTED 1,5-NAPHTHYRIDINE AZOLIDINONES AS CDK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-10-12 WO claimed
US-20060223843-A1 Substituted 1,5-naphthyridine azolinones LIU JIN-JUN 2006-10-05 US claimed
CN-101155808-B Substituted 1,5-naphthyridine azolidinones as cdk inhibitors HOFFMANN LA ROCHE 2011-08-31 CN disclosed
EP-1869036-B1 SUBSTITUTED 1,5-NAPHTHYRIDINE AZOLIDINONES AS CDK INHIBITORS HOFFMANN LA ROCHE (CH) 2010-11-03 EP disclosed
CN-101155808-A Substituted 1,5-naphthyridine azolidinones as cdk inhibitors HOFFMANN LA ROCHE (CH) 2008-04-02 CN disclosed
EP-1869036-A1 SUBSTITUTED 1,5-NAPHTHYRIDINE AZOLIDINONES AS CDK INHIBITORS F. Hoffmann-Roche AG (CH) 2007-12-26 EP disclosed
US-7304074-B2 Substituted 1,5-naphthyridine azolinones HOFFMANN-LA ROCHE INC. (US) 2007-12-04 US disclosed
WO-2006106046-A1 SUBSTITUTED 1,5-NAPHTHYRIDINE AZOLIDINONES AS CDK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-10-12 WO disclosed
US-20060223843-A1 Substituted 1,5-naphthyridine azolinones LIU JIN-JUN 2006-10-05 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-20060223843-A1 Substituted 1,5-naphthyridine azolinones CDK4, CDK1, CDK14 ALDH1A1 2579/4885CYP1A2 1474/4885CYP3A4 478/4885

“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.