SCHEMBL614950

SCHEMBL614950

Cc1ccc(-c2ccc(Cn3nc4c(=O)n(C5CCCOC5)nc-4c4cccnc43)cn2)cn1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.35
TYK2 P29597 4/20 0.35
PDE1C Q14123 6/20 0.34
PDE1A P54750 5/20 0.34
PDE1B Q01064 5/20 0.34
PDE9A O76083 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
AKT1 P31749 1/20 0.32
MTOR P42345 1/20 0.32
CHRM1 P11229 1/20 0.32
PIK3CA P42336 1/20 0.31
MAPK1 P28482 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
SCHEMBL617191 0.93 PDE1B (0.37) EGFRTYK2PDE1CPDE1APDE1B
SCHEMBL617415 0.84 EGFR (0.36) EGFRTYK2PDE1CPDE1APDE1B
SCHEMBL616000 0.84 EGFR (0.39) EGFRPDE1CPDE1APDE1BMTOR
SCHEMBL614876 0.84 L3MBTL1 (0.36) EGFRTYK2PDE1CPDE1APDE1B
SCHEMBL615419 0.83 CHRM1 (0.41) L3MBTL1CHRM1
SCHEMBL10165009 0.83 CHRM1 (0.41) L3MBTL1CHRM1
SCHEMBL615418 0.83 CHRM1 (0.41) L3MBTL1CHRM1
SCHEMBL618143 0.82 EGFR (0.34) EGFRTYK2PDE1CPDE1APDE1B
SCHEMBL14875392 0.81 ESR1 (0.38) EGFRPDE1CPDE1APDE1B
SCHEMBL617404 0.79 CHRM1 (0.39) MTORCHRM1

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 11 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
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

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 4322/4885PDE1C 317/4885

“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.