SCHEMBL617415

SCHEMBL617415

O=c1c2nn(Cc3ccc(-c4ccc(O)nc4)cc3)c3ncccc3c-2nn1C1CCCOC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.36
TYK2 P29597 4/20 0.34
KDR P35968 3/20 0.33
PIK3CD O00329 2/20 0.33
ABL1 P00519 2/20 0.33
HCK P08631 2/20 0.33
SRC P12931 2/20 0.33
PIK3CA P42336 2/20 0.33
PIK3CB P42338 2/20 0.33
MTOR P42345 2/20 0.33
PIK3CG P48736 2/20 0.33
EPHB4 P54760 2/20 0.33
PRKDC P78527 2/20 0.33
PI4KB Q9UBF8 2/20 0.33
RET P07949 1/20 0.33
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE1C Q14123 1/20 0.32
PDE4A P27815 2/20 0.32
PDE4B Q07343 1/20 0.32

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
SCHEMBL617191 0.91 PDE1B (0.37) EGFRTYK2KDRMTORRET
SCHEMBL616000 0.88 EGFR (0.39) EGFRPIK3CAMTORPDE1APDE1B
SCHEMBL614876 0.87 L3MBTL1 (0.36) EGFRTYK2KDRRETPDE1A
SCHEMBL614950 0.84 EGFR (0.35) EGFRTYK2PIK3CAMTORPDE1A
SCHEMBL618143 0.83 EGFR (0.34) EGFRTYK2KDRRETPDE1A
SCHEMBL617404 0.82 CHRM1 (0.39) MTORPDE4APDE4BPDE4CPDE4D
SCHEMBL14875392 0.79 ESR1 (0.38) EGFRPDE1APDE1BPDE1CPDE4A
SCHEMBL15215831 0.78 L3MBTL1 (0.33) EGFRTYK2KDRRETPDE1A
SCHEMBL3807849 0.75 PDE4A (0.39) EGFRPDE1APDE1BPDE1CPDE4A
SCHEMBL7908279 0.73 PDE4A (0.46) EGFRPDE1APDE1BPDE1CPDE4A

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421366-B1 HETEROCYCLIC FUSED CINNOLINE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2013-08-28 EP claimed
US-8293744-B2 Heterocyclic fused cinnoline M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2012-10-23 US claimed
US-20120040978-A1 Heterocyclic Fused Cinnoline M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME CORP. (US) 2012-02-16 US claimed
EP-2421366-B1 HETEROCYCLIC FUSED CINNOLINE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2013-08-28 EP disclosed
EP-2421366-B1 HETEROCYCLIC FUSED CINNOLINE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2013-08-28 EP disclosed
US-8293744-B2 Heterocyclic fused cinnoline M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2012-10-23 US disclosed
US-8293744-B2 Heterocyclic fused cinnoline M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2012-10-23 US disclosed
US-8293744-B2 Heterocyclic fused cinnoline M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2012-10-23 US disclosed
EP-2421366-A1 HETEROCYCLIC FUSED CINNOLINE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Merck Sharp & Dohme Corp. (US) 2012-02-29 EP disclosed
US-20120040978-A1 Heterocyclic Fused Cinnoline M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME CORP. (US) 2012-02-16 US disclosed
US-20120040978-A1 Heterocyclic Fused Cinnoline M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME CORP. (US) 2012-02-16 US disclosed
US-20120040978-A1 Heterocyclic Fused Cinnoline M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME CORP. (US) 2012-02-16 US disclosed
WO-2010123716-A1 HETEROCYCLIC FUSED CINNOLINE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2010-10-28 WO disclosed
WO-2010123716-A1 HETEROCYCLIC FUSED CINNOLINE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2010-10-28 WO 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-20120040978-A1 Heterocyclic Fused Cinnoline M1 Receptor Positive Allosteric Modulators CHRM1, CNR1, CHRNA7 EGFR 2672/4885TYK2 4322/4885KDR 4109/4885

“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.