SCHEMBL3372598

SCHEMBL3372598

N#Cc1cnc2ccc(C=C3SC(NCc4ccccc4Cl)=NC3=O)nc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 1/20 0.39
AADAT Q8N5Z0 1/20 0.35
MAPT P10636 5/20 0.34
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAP4K4 O95819 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 5/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.32
HIF1A Q16665 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALOX5AP P20292 2/20 0.32
TSHR P16473 2/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
IDH1 O75874 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 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
SCHEMBL13069006 1.00 VNN1 (0.39) VNN1AADATMAPTALDH1A1MEN1
SCHEMBL3372593 1.00 VNN1 (0.39) VNN1AADATMAPTALDH1A1MEN1
SCHEMBL3371424 0.89 P2RX7 (0.35) VNN1ALDH1A1IDH1
SCHEMBL13069299 0.89 P2RX7 (0.35) VNN1ALDH1A1IDH1
SCHEMBL3370868 0.89 P2RX7 (0.35) VNN1ALDH1A1IDH1
SCHEMBL3370583 0.87 ABL1 (0.35) VNN1IDH1PDE5A
SCHEMBL13068955 0.87 ABL1 (0.35) VNN1IDH1PDE5A
SCHEMBL3371539 0.87 ABL1 (0.35) VNN1IDH1PDE5A
SCHEMBL3371279 0.85 MAP3K8 (0.38) VNN1HDAC3HDAC1HDAC2HDAC6
SCHEMBL14337696 0.85 MAP3K8 (0.38) VNN1HDAC3HDAC1HDAC2HDAC6

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 5 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 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 VNN1 2790/4885AADAT 3466/4885MAPT 2888/4885

“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.