SCHEMBL3370542

SCHEMBL3370542

CCOC(=O)C(=CNc1ccc(C)nc1)C(=O)OCC

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.68
MAPT P10636 5/20 0.65
NPSR1 Q6W5P4 4/20 0.60
CYP3A4 P08684 2/20 0.59
CYP2D6 P10635 2/20 0.59
MAPK1 P28482 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2C19 P33261 1/20 0.59
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
GAA P10253 3/20 0.54
KDM4E B2RXH2 3/20 0.52
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.52
HTT P42858 1/20 0.52
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL29531730 1.00 DHODH (0.68) DHODHMAPTNPSR1CYP3A4CYP2D6
SCHEMBL8327185 0.87 DHODH (0.63) DHODHMAPTNPSR1CYP3A4CYP2D6
SCHEMBL7242142 0.87 MAPT (0.68) DHODHMAPTNPSR1CYP3A4CYP2D6
SCHEMBL7922298 0.87 DHODH (0.63) DHODHMAPTNPSR1CYP3A4CYP2D6
SCHEMBL6283254 0.87 DHODH (0.63) DHODHMAPTNPSR1CYP3A4CYP2D6
SCHEMBL622761 0.86 MAPT (0.67) DHODHMAPTNPSR1CYP3A4CYP2D6
SCHEMBL10863692 0.86 DHODH (0.90) DHODHMAPTNPSR1CYP3A4CYP2D6
SCHEMBL15979037 0.86 MAPT (0.51) DHODHMAPTNPSR1CYP3A4CYP2D6
SCHEMBL12565433 0.86 MAPT (0.51) DHODHMAPTNPSR1CYP3A4CYP2D6
SCHEMBL13069438 0.85 MAPT (0.50) DHODHMAPTNPSR1CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1869036-B1 SUBSTITUTED 1,5-NAPHTHYRIDINE AZOLIDINONES AS CDK INHIBITORS HOFFMANN LA ROCHE (CH) 2010-11-03 EP 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 DHODH 1779/4885MAPT 2888/4885NPSR1 4219/4885

“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.