SCHEMBL5574640

SCHEMBL5574640

COc1ccccc1CNC1=NC(=O)C(=Cc2ccc3ncccc3n2)N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 6/20 0.38
KDM1A O60341 1/20 0.38
GAA P10253 1/20 0.38
RCOR1 Q9UKL0 1/20 0.38
CYP1A2 P05177 6/20 0.37
CYP3A4 P08684 6/20 0.37
CYP2D6 P10635 6/20 0.37
CYP2C19 P33261 6/20 0.37
TSHR P16473 5/20 0.37
ALOX15 P16050 4/20 0.37
USP2 O75604 4/20 0.37
LMNA P02545 4/20 0.37
CLK4 Q9HAZ1 3/20 0.37
MAPK1 P28482 3/20 0.37
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 2/20 0.37
TP53 P04637 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL5570175 0.90 PDE10A (0.34) HSD17B10GAACYP1A2CYP3A4CYP2D6
SCHEMBL5573823 0.88 ELANE (0.40) LMNAMEN1ALDH1A1KMT2AHTR2A
SCHEMBL5573825 0.88 ELANE (0.40) LMNAMEN1ALDH1A1KMT2AHTR2A
SCHEMBL5573841 0.86 ALDH1A1 (0.36) KDM4EHSD17B10CYP3A4CYP2C19LMNA
SCHEMBL5571296 0.86 ALDH1A1 (0.36) KDM4EHSD17B10CYP3A4CYP2C19LMNA
SCHEMBL5630150 0.84 NPC1 (0.39) KDM4ELMNACLK4ALDH1A1TP53
SCHEMBL14422272 0.84 NPC1 (0.39) KDM4ELMNACLK4ALDH1A1TP53
SCHEMBL14422273 0.84 PDE10A (0.38) GAACYP1A2CYP3A4LMNAMEN1
SCHEMBL5631576 0.84 PDE10A (0.38) GAACYP1A2CYP3A4LMNAMEN1
SCHEMBL5571285 0.83 GSK3B (0.38) KDM4ECYP3A4LMNACLK4ABL1

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 4 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
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 KDM4E 1444/4885HSD17B10 1375/4885KDM1A 1698/4885

“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.