SCHEMBL618143

SCHEMBL618143

O=c1c2nn(Cc3ccc(-c4cscn4)cc3)c3ncccc3c-2nn1C1CCCOC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.34
CHRM1 P11229 4/20 0.34
TYK2 P29597 3/20 0.32
RET P07949 2/20 0.32
KDR P35968 2/20 0.32
HTR3A P46098 1/20 0.32
PDE4A P27815 2/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
PDE2A O00408 1/20 0.32
PDE11A Q9HCR9 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
ADAM17 P78536 1/20 0.31
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 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
SCHEMBL614876 0.86 L3MBTL1 (0.36) EGFRTYK2RETKDRPDE4A
SCHEMBL617191 0.84 PDE1B (0.37) EGFRTYK2RETKDRPDE4A
SCHEMBL617415 0.83 EGFR (0.36) EGFRTYK2RETKDRPDE4A
SCHEMBL614950 0.82 EGFR (0.35) EGFRCHRM1TYK2L3MBTL1PDE1A
SCHEMBL616000 0.81 EGFR (0.39) EGFRPDE1APDE1BPDE1C
SCHEMBL617404 0.81 CHRM1 (0.39) CHRM1PDE4APDE4BPDE4CPDE4D
SCHEMBL15215831 0.77 L3MBTL1 (0.33) EGFRTYK2RETKDRPDE4A
SCHEMBL3807849 0.74 PDE4A (0.39) EGFRPDE4APDE4BPDE4CPDE4D
SCHEMBL7908279 0.73 PDE4A (0.46) EGFRPDE4APDE4BPDE4CPDE4D
SCHEMBL14875392 0.72 ESR1 (0.38) EGFRPDE4APDE4BPDE4CPDE4D

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 2672/4885CHRM1 1/4885TYK2 4322/4885

“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.