SCHEMBL626765

SCHEMBL626765

CCOC(=O)c1nn(Cc2ccc(-c3cnn(C)c3)nc2)c2ncccc2c1=O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.40
HDAC1 Q13547 1/20 0.39
CHRM1 P11229 2/20 0.39
MAOB P27338 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
MET P08581 8/20 0.37
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KCNJ1 P48048 1/20 0.36
AURKA O14965 1/20 0.35
AURKB Q96GD4 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
SCHEMBL14875338 0.88 F2RL3 (0.44) ELANEHDAC1CHRM1CYP11B1CYP11B2
SCHEMBL617040 0.82 KMT2A (0.43) ELANEMAOBL3MBTL1
SCHEMBL615426 0.82 ELANE (0.43) ELANEMAOBL3MBTL1
SCHEMBL615973 0.79 L3MBTL1 (0.46) ELANEL3MBTL1
SCHEMBL617813 0.76 PIM1 (0.43) HDAC1CHRM1CYP11B1CYP11B2MET
SCHEMBL615688 0.74 KDM4E (0.43) ELANEMAOBMAPT
SCHEMBL14875322 0.73 GABRA1 (0.45) MAOBMAPT
SCHEMBL626742 0.73 ELANE (0.39) ELANECHRM1MAOBMETMAPT
SCHEMBL17243618 0.73 ELANE (0.52) ELANEMAOB
SCHEMBL1217408 0.72 L3MBTL1 (0.61) ELANEL3MBTL1

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
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 ELANE 4513/4885HDAC1 907/4885CHRM1 1/4885

“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.