SCHEMBL615728

SCHEMBL615728

CCOC(=O)c1nn(Cc2ccc(Br)nc2)c2ncccc2c1=S

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ELANE P08246 8/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
MAOB P27338 1/20 0.40
BRD4 O60885 1/20 0.39
CYP19A1 P11511 4/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GABRA1 P14867 1/20 0.36
GABRA5 P31644 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
F2RL3 Q96RI0 1/20 0.35
F2 P00734 1/20 0.35
PLAU P00749 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
SCHEMBL615426 0.89 ELANE (0.43) ELANEL3MBTL1MAOBBRD4CYP19A1
SCHEMBL615481 0.89 KMT2A (0.42) ELANEL3MBTL1MAOBBRD4CYP19A1
SCHEMBL3788797 0.86 L3MBTL1 (0.42) L3MBTL1MEN1KMT2APTGDR2
SCHEMBL616331 0.85 L3MBTL1 (0.45) ELANEL3MBTL1MAOBBRD4CYP19A1
SCHEMBL617040 0.78 KMT2A (0.43) ELANEL3MBTL1MAOBBRD4CYP19A1
SCHEMBL3806317 0.77 F2RL3 (0.48) ELANECYP19A1GABRA1GABRA5RXFP1
SCHEMBL1217408 0.77 L3MBTL1 (0.61) ELANEL3MBTL1BRD4CYP19A1MEN1
SCHEMBL9925003 0.76 PTGDR2 (0.54) ELANEL3MBTL1BRD4PTGDR2RXFP1
SCHEMBL617563 0.75 KDM4E (0.42) ELANEMAOBBRD4MEN1KMT2A
SCHEMBL3794053 0.74 GABRA1 (0.44) ELANECYP19A1MEN1KMT2AGABRA1

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
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 ELANE 4513/4885L3MBTL1 3385/4885MAOB 1685/4885

“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.