SCHEMBL5573809

SCHEMBL5573809

Cc1ccsc1CNC1=NC(=O)/C(=C/c2ccc3ncccc3n2)S1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.34
MAPT P10636 5/20 0.34
TDP1 Q9NUW8 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PNP P00491 1/20 0.34
KDM4E B2RXH2 2/20 0.33
KDM6B O15054 1/20 0.33
KDM4A O75164 1/20 0.33
KDM5C P41229 1/20 0.33
KDM4D Q6B0I6 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
SLCO1B1 Q9Y6L6 1/20 0.33
BRD4 O60885 1/20 0.33
KAT2B Q92831 1/20 0.33
CDC7 O00311 1/20 0.33
CLK1 P49759 2/20 0.32
LMNA P02545 1/20 0.32
TRPM5 Q9NZQ8 1/20 0.32
HPGD P15428 3/20 0.31

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
SCHEMBL5573813 1.00 ALDH1A1 (0.34) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL4865555 0.84 CLK1 (0.45) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL5573283 0.83 PKM (0.38) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL5570169 0.83 PKM (0.38) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL3373570 0.82 BRD4 (0.32) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL3372767 0.82 BRD4 (0.32) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL14337693 0.82 BRD4 (0.32) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL5573333 0.81 ABL1 (0.35) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL5573335 0.81 ABL1 (0.35) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL5573296 0.81 CYP1A2 (0.38) ALDH1A1MAPTTDP1MEN1KMT2A

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 10 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
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 ALDH1A1 3109/4885MAPT 3891/4885TDP1 455/4885

“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.