SCHEMBL617040

SCHEMBL617040

CCOC(=O)c1nn(Cc2ccc(Cl)nc2)c2ncccc2c1=O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ELANE P08246 3/20 0.43
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
GABRA1 P14867 2/20 0.40
GABRA5 P31644 2/20 0.40
BRD4 O60885 1/20 0.39
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
MAOB P27338 1/20 0.39
CYP19A1 P11511 2/20 0.39
RECQL P46063 1/20 0.38
MAPK10 P53779 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL615481 0.89 KMT2A (0.42) KMT2AL3MBTL1ELANEMEN1LMNA
SCHEMBL615426 0.88 ELANE (0.43) KMT2AL3MBTL1ELANEMEN1GABRA1
SCHEMBL615973 0.87 L3MBTL1 (0.46) KMT2AL3MBTL1ELANEMEN1BRD4
SCHEMBL626765 0.82 ELANE (0.40) L3MBTL1ELANEMAOB
SCHEMBL1217408 0.80 L3MBTL1 (0.61) KMT2AL3MBTL1ELANEMEN1BRD4
SCHEMBL9925003 0.79 PTGDR2 (0.54) L3MBTL1ELANELMNABRD4PTGDR2
SCHEMBL14875726 0.78 GABRA1 (0.49) KMT2AELANEMEN1LMNAGABRA1
SCHEMBL615728 0.78 ELANE (0.42) KMT2AL3MBTL1ELANEMEN1GABRA1
SCHEMBL17243618 0.76 ELANE (0.52) KMT2AELANEMEN1LMNABRD4
SCHEMBL616331 0.76 L3MBTL1 (0.45) KMT2AL3MBTL1ELANEMEN1BRD4

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 KMT2A 2415/4885L3MBTL1 3385/4885ELANE 4513/4885

“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.