SCHEMBL3371539

SCHEMBL3371539

Cc1cccc(Cl)c1CNC1=NC(=O)/C(=C\c2ccc3ncc(C#N)cc3n2)S1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.35
SRC P12931 1/20 0.35
CYP3A4 P08684 1/20 0.33
CD38 P28907 1/20 0.33
MAPK1 P28482 1/20 0.32
VNN1 O95497 1/20 0.30
JAK2 O60674 1/20 0.30
JAK3 P52333 1/20 0.30
CISD1 Q9NZ45 1/20 0.30
SCN1A P35498 1/20 0.30
SCN5A Q14524 1/20 0.30
SCN8A Q9UQD0 1/20 0.30
LCK P06239 1/20 0.30
IDH1 O75874 1/20 0.30
PDE5A O76074 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
SCHEMBL3370583 1.00 ABL1 (0.35) ABL1SRCCYP3A4CD38MAPK1
SCHEMBL13068955 1.00 ABL1 (0.35) ABL1SRCCYP3A4CD38MAPK1
SCHEMBL3372598 0.87 VNN1 (0.39) VNN1IDH1PDE5A
SCHEMBL13069006 0.87 VNN1 (0.39) VNN1IDH1PDE5A
SCHEMBL3372593 0.87 VNN1 (0.39) VNN1IDH1PDE5A
SCHEMBL5573333 0.84 ABL1 (0.35) ABL1SRCCYP3A4CD38JAK2
SCHEMBL5573335 0.84 ABL1 (0.35) ABL1SRCCYP3A4CD38JAK2
SCHEMBL3373570 0.83 BRD4 (0.32)
SCHEMBL14337693 0.83 BRD4 (0.32)
SCHEMBL3372767 0.83 BRD4 (0.32)

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 ABL1 169/4885SRC 443/4885CYP3A4 478/4885

“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.