SCHEMBL616000

SCHEMBL616000

COc1ccc(-c2ccc(Cn3nc4c(=O)n(C5CCCOC5)nc-4c4cccnc43)cc2)cn1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.39
PIK3CA P42336 14/20 0.38
MTOR P42345 12/20 0.38
PDE1A P54750 1/20 0.37
PDE1B Q01064 1/20 0.37
PDE1C Q14123 1/20 0.37
ATM Q13315 10/20 0.36
ATR Q13535 4/20 0.36
KCNH2 Q12809 1/20 0.36
MAPK1 P28482 1/20 0.35
SYK P43405 1/20 0.35

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) EGFRMTORPDE1APDE1BPDE1C
SCHEMBL617415 0.88 EGFR (0.36) EGFRPIK3CAMTORPDE1APDE1B
SCHEMBL614876 0.85 L3MBTL1 (0.36) EGFRPDE1APDE1BPDE1C
SCHEMBL614950 0.84 EGFR (0.35) EGFRPIK3CAMTORPDE1APDE1B
SCHEMBL618143 0.81 EGFR (0.34) EGFRPDE1APDE1BPDE1C
SCHEMBL617404 0.80 CHRM1 (0.39) MTOR
SCHEMBL14875392 0.79 ESR1 (0.38) EGFRPDE1APDE1BPDE1CATM
SCHEMBL15215831 0.78 L3MBTL1 (0.33) EGFRPDE1APDE1BPDE1C
SCHEMBL3807849 0.74 PDE4A (0.39) EGFRPDE1APDE1BPDE1CMAPK1
SCHEMBL617714 0.73 PDE1B (0.35) EGFRPIK3CAMTORPDE1APDE1B

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 3 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 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

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 2672/4885PIK3CA 1114/4885MTOR 1743/4885

“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.