SCHEMBL615973

SCHEMBL615973

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
ELANE P08246 5/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
BRD4 O60885 1/20 0.41
PDE4A P27815 3/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
CYP19A1 P11511 1/20 0.40
RECQL P46063 1/20 0.40
MAPK10 P53779 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
F2RL3 Q96RI0 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.39
ADORA1 P30542 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL616331 0.89 L3MBTL1 (0.45) L3MBTL1ELANEMEN1KMT2ABRD4
SCHEMBL617040 0.87 KMT2A (0.43) L3MBTL1ELANEMEN1KMT2ABRD4
SCHEMBL615426 0.85 ELANE (0.43) L3MBTL1ELANEMEN1KMT2ABRD4
SCHEMBL1217408 0.82 L3MBTL1 (0.61) L3MBTL1ELANEMEN1KMT2ABRD4
SCHEMBL3712433 0.81 PDE4A (0.44) ELANEMEN1KMT2APDE4APDE4B
SCHEMBL9925003 0.81 PTGDR2 (0.54) L3MBTL1ELANEBRD4SMN1; SMN2PTGDR2
SCHEMBL626765 0.79 ELANE (0.40) L3MBTL1ELANE
SCHEMBL17243618 0.79 ELANE (0.52) ELANEMEN1KMT2ABRD4SMN1; SMN2
SCHEMBL615481 0.76 KMT2A (0.42) L3MBTL1ELANEMEN1KMT2ABRD4
SCHEMBL615688 0.75 KDM4E (0.43) ELANEMEN1KMT2ABRD4SMN1; SMN2

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 5 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
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 L3MBTL1 3385/4885ELANE 4513/4885MEN1 710/4885

“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.