SCHEMBL5573283

SCHEMBL5573283

O=C1N=C(NCc2cccs2)S/C1=C\c1ccc2ncccc2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.38
CDK1 P06493 2/20 0.38
CCNB1 P14635 2/20 0.38
PRKCD Q05655 2/20 0.38
MAPK1 P28482 2/20 0.38
AURKA O14965 1/20 0.38
CCNT1 O60563 1/20 0.38
CCNA2 P20248 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
CDK7 P50613 1/20 0.38
CDK9 P50750 1/20 0.38
CCNH P51946 1/20 0.38
MNAT1 P51948 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
AURKB Q96GD4 1/20 0.38
PTPN1 P18031 1/20 0.36

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
SCHEMBL5570169 1.00 PKM (0.38) PKMCDK1CCNB1PRKCDMAPK1
SCHEMBL5573813 0.83 ALDH1A1 (0.34) SMN1; SMN2RAB9ACDC7CLK4KDM4E
SCHEMBL5573809 0.83 ALDH1A1 (0.34) SMN1; SMN2RAB9ACDC7CLK4KDM4E
SCHEMBL16549951 0.83 CDK1 (0.56) PKMCDK1CCNB1PRKCDMAPK1
SCHEMBL29361670 0.83 CDK1 (0.56) PKMCDK1CCNB1PRKCDMAPK1
SCHEMBL18076584 0.83 CDK1 (0.56) PKMCDK1CCNB1PRKCDMAPK1
SCHEMBL4874056 0.83 CDK1 (0.56) PKMCDK1CCNB1PRKCDMAPK1
SCHEMBL13069461 0.82 CLK4 (0.40) MAPK1PTPN1PTPN11SMN1; SMN2TSHR
SCHEMBL3373887 0.82 CLK4 (0.40) MAPK1PTPN1PTPN11SMN1; SMN2TSHR
SCHEMBL3373888 0.82 CLK4 (0.40) MAPK1PTPN1PTPN11SMN1; SMN2TSHR

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 6 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 disclosed
US-7268231-B2 1,5-Naphthyridine azolinone HOFFMANN-LA ROCHE INC. (US) 2007-09-11 US disclosed
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 PKM 1527/4885CDK1 1/4885CCNB1 24/4885

“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.