SCHEMBL616331

SCHEMBL616331

CCOC(=O)c1nn(Cc2ccc(I)cc2)c2ncccc2c1=S

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
ELANE P08246 6/20 0.44
BRD4 O60885 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP19A1 P11511 2/20 0.40
PDE4A P27815 2/20 0.39
F2RL3 Q96RI0 1/20 0.39
PTGDR2 Q9Y5Y4 3/20 0.39
MAPK1 P28482 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL615973 0.89 L3MBTL1 (0.46) L3MBTL1ELANEBRD4MEN1KMT2A
SCHEMBL615481 0.87 KMT2A (0.42) L3MBTL1ELANEBRD4MEN1KMT2A
SCHEMBL615728 0.85 ELANE (0.42) L3MBTL1ELANEBRD4MEN1KMT2A
SCHEMBL14875341 0.82 PDE4A (0.41) ELANEMEN1KMT2ACYP19A1PDE4A
SCHEMBL1217408 0.82 L3MBTL1 (0.61) L3MBTL1ELANEBRD4MEN1KMT2A
SCHEMBL9925003 0.80 PTGDR2 (0.54) L3MBTL1ELANEBRD4PTGDR2MAPK1
SCHEMBL617040 0.76 KMT2A (0.43) L3MBTL1ELANEBRD4MEN1KMT2A
SCHEMBL617563 0.75 KDM4E (0.42) ELANEBRD4MEN1KMT2AMAOB
SCHEMBL14884875 0.75 F2RL3 (0.62) ELANEMEN1KMT2ACYP19A1F2RL3
SCHEMBL615426 0.74 ELANE (0.43) L3MBTL1ELANEBRD4MEN1KMT2A

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 4 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
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

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 L3MBTL1 3385/4885ELANE 4513/4885BRD4 1201/4885

“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.