SCHEMBL3370868

SCHEMBL3370868

N#Cc1cnc2ccc(C=C3SC(NCc4ccc(F)cc4Cl)=NC3=O)nc2c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.35
CISD1 Q9NZ45 1/20 0.34
ARNT P27540 1/20 0.32
EPAS1 Q99814 1/20 0.32
VNN1 O95497 1/20 0.32
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
JAK3 P52333 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
IRAK4 Q9NWZ3 1/20 0.30
IDH1 O75874 1/20 0.30

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
SCHEMBL3371424 1.00 P2RX7 (0.35) P2RX7CISD1ARNTEPAS1VNN1
SCHEMBL13069299 1.00 P2RX7 (0.35) P2RX7CISD1ARNTEPAS1VNN1
SCHEMBL3372598 0.89 VNN1 (0.39) VNN1ALDH1A1IDH1
SCHEMBL13069006 0.89 VNN1 (0.39) VNN1ALDH1A1IDH1
SCHEMBL3372593 0.89 VNN1 (0.39) VNN1ALDH1A1IDH1
SCHEMBL14337696 0.86 MAP3K8 (0.38) CISD1VNN1
SCHEMBL3371277 0.86 MAP3K8 (0.38) CISD1VNN1
SCHEMBL3371279 0.86 MAP3K8 (0.38) CISD1VNN1
SCHEMBL5573902 0.84 PIK3CA (0.38) P2RX7CISD1ARNTEPAS1
SCHEMBL5573899 0.84 PIK3CA (0.38) P2RX7CISD1ARNTEPAS1

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
EP-1869036-B1 SUBSTITUTED 1,5-NAPHTHYRIDINE AZOLIDINONES AS CDK INHIBITORS HOFFMANN LA ROCHE (CH) 2010-11-03 EP claimed
EP-1869036-A1 SUBSTITUTED 1,5-NAPHTHYRIDINE AZOLIDINONES AS CDK INHIBITORS F. Hoffmann-Roche AG (CH) 2007-12-26 EP claimed
US-7304074-B2 Substituted 1,5-naphthyridine azolinones HOFFMANN-LA ROCHE INC. (US) 2007-12-04 US claimed
WO-2006106046-A1 SUBSTITUTED 1,5-NAPHTHYRIDINE AZOLIDINONES AS CDK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-10-12 WO claimed
US-20060223843-A1 Substituted 1,5-naphthyridine azolinones LIU JIN-JUN 2006-10-05 US claimed
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 P2RX7 4590/4885CISD1 1560/4885ARNT 608/4885

“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.