SCHEMBL5573902

SCHEMBL5573902

O=C1N=C(NCc2ccc(F)cc2Cl)SC1=Cc1ccc2ncccc2n1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.38
CISD1 Q9NZ45 1/20 0.37
P2RX7 Q99572 14/20 0.37
KDM4E B2RXH2 1/20 0.36
ARNT P27540 1/20 0.34
EPAS1 Q99814 1/20 0.34
CASP6 P55212 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
SCHEMBL5573899 1.00 PIK3CA (0.38) PIK3CACISD1P2RX7KDM4EARNT
SCHEMBL5573274 0.88 ALDH1A1 (0.37) KDM4E
SCHEMBL5571290 0.88 ALDH1A1 (0.37) KDM4E
SCHEMBL5571297 0.85 GRM4 (0.41) CISD1P2RX7
SCHEMBL5571291 0.85 GRM4 (0.41) CISD1P2RX7
SCHEMBL3371424 0.84 P2RX7 (0.35) CISD1P2RX7ARNTEPAS1
SCHEMBL13069299 0.84 P2RX7 (0.35) CISD1P2RX7ARNTEPAS1
SCHEMBL3370868 0.84 P2RX7 (0.35) CISD1P2RX7ARNTEPAS1
SCHEMBL3372531 0.81 CISD1 (0.37) CISD1ARNTEPAS1
SCHEMBL3372536 0.81 CISD1 (0.37) CISD1ARNTEPAS1

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
US-7268231-B2 1,5-Naphthyridine azolinone HOFFMANN-LA ROCHE INC. (US) 2007-09-11 US claimed
EP-1805174-A1 1,5-NAPHTHYRIDINE AZOLIDINONES HAVING CDK1 ANTIPROLIFERATIVE ACTIVITY F.HOFFMANN-LA ROCHE AG (CH) 2007-07-11 EP claimed
WO-2006040052-A1 1,5-NAPHTHYRIDINE AZOLIDINONES HAVING CDK1 ANTIPROLIFERATIVE ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2006-04-20 WO claimed
US-20060084673-A1 1,5-naphthyridine azolinone LIU JIN-JUN 2006-04-20 US claimed
US-7268231-B2 1,5-Naphthyridine azolinone HOFFMANN-LA ROCHE INC. (US) 2007-09-11 US disclosed
EP-1805174-A1 1,5-NAPHTHYRIDINE AZOLIDINONES HAVING CDK1 ANTIPROLIFERATIVE ACTIVITY F.HOFFMANN-LA ROCHE AG (CH) 2007-07-11 EP disclosed
WO-2006040052-A1 1,5-NAPHTHYRIDINE AZOLIDINONES HAVING CDK1 ANTIPROLIFERATIVE ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2006-04-20 WO disclosed
US-20060084673-A1 1,5-naphthyridine azolinone LIU JIN-JUN 2006-04-20 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-20060084673-A1 1,5-naphthyridine azolinone CDK1, CDK15, CDK14 PIK3CA 448/4885CISD1 1341/4885P2RX7 4801/4885

“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.