SCHEMBL3371279

SCHEMBL3371279

N#Cc1cnc2ccc(C=C3SC(NCc4ccc(F)c(Cl)c4)=NC3=O)nc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K8 P41279 7/20 0.38
PDE5A O76074 5/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32
MAPK1 P28482 1/20 0.31
PDPK1 O15530 1/20 0.31
GRM4 Q14833 1/20 0.31
MAPK13 O15264 1/20 0.31
EIF2AK2 P19525 1/20 0.31
MAPK12 P53778 1/20 0.31
MAPK11 Q15759 1/20 0.31
MAPK14 Q16539 1/20 0.31
CISD1 Q9NZ45 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
VNN1 O95497 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
SCHEMBL14337696 1.00 MAP3K8 (0.38) MAP3K8PDE5AHDAC3HDAC1HDAC2
SCHEMBL3371277 1.00 MAP3K8 (0.38) MAP3K8PDE5AHDAC3HDAC1HDAC2
SCHEMBL13069299 0.86 P2RX7 (0.35) CISD1VNN1
SCHEMBL3370868 0.86 P2RX7 (0.35) CISD1VNN1
SCHEMBL3372598 0.85 VNN1 (0.39) PDE5AHDAC3HDAC1HDAC2HDAC6
SCHEMBL13069006 0.85 VNN1 (0.39) PDE5AHDAC3HDAC1HDAC2HDAC6
SCHEMBL3372593 0.85 VNN1 (0.39) PDE5AHDAC3HDAC1HDAC2HDAC6
SCHEMBL5571297 0.84 GRM4 (0.41) HDAC3HDAC1HDAC2HDAC6EGFR
SCHEMBL5571291 0.84 GRM4 (0.41) HDAC3HDAC1HDAC2HDAC6EGFR
SCHEMBL3371539 0.82 ABL1 (0.35) PDE5AMAPK1CISD1VNN1

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 MAP3K8 195/4885PDE5A 2971/4885HDAC3 592/4885

“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.