SCHEMBL617563

SCHEMBL617563

CCOC(=O)c1nn(Cc2ccc(-c3cccnc3)nc2C)c2ncccc2c1=S

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.42
MAPT P10636 4/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
DCTPP1 Q9H773 1/20 0.41
ELANE P08246 2/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAOB P27338 1/20 0.37
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
NPSR1 Q6W5P4 3/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL615688 0.90 KDM4E (0.43) KDM4EMAPTRAB9ANPC1MEN1
SCHEMBL626742 0.77 ELANE (0.39) MAPTELANEMAOBPDE5ABUB1
SCHEMBL616331 0.75 L3MBTL1 (0.45) MEN1KMT2AELANEMAOBBRD4
SCHEMBL615728 0.75 ELANE (0.42) MEN1KMT2AELANEMAOBBRD4
SCHEMBL615481 0.75 KMT2A (0.42) MAPTMEN1KMT2AELANEMAOB
SCHEMBL6068675 0.70 PTGDR2 (0.53) KDM4EMAPTELANEALDH1A1HPGD
SCHEMBL2883538 0.70 PDE5A (0.53) MAPTMEN1KMT2AELANEALDH1A1
SCHEMBL28779576 0.69 DCTPP1 (0.60) KDM4EMAPTRAB9ANPC1MEN1
SCHEMBL1217408 0.69 L3MBTL1 (0.61) MEN1KMT2APOLBELANEALDH1A1
SCHEMBL6068569 0.68 ELANE (0.52) MEN1KMT2AELANEALDH1A1PDE5A

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 KDM4E 3190/4885MAPT 905/4885RAB9A 1036/4885

“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.