SCHEMBL617431

SCHEMBL617431

CCOC(=O)c1nn(Cc2ccc(-n3cccn3)cc2)c2ccsc2c1=S

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.43
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 1/20 0.39
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GLA P06280 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
FEN1 P39748 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA5A P35218 1/20 0.37
CA9 Q16790 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
SCHEMBL617325 0.90 CHRM1 (0.44) CHRM1NPC1RAB9ALMNAKDM4E
SCHEMBL3785436 0.84 CHRM1 (0.53) CHRM1NPC1RAB9ALMNAKDM4E
SCHEMBL14875367 0.79 CHRM1 (0.41) CHRM1NPC1RAB9ALMNAKDM4E
SCHEMBL3809551 0.78 CHRM1 (0.54) CHRM1NPC1RAB9ALMNAKDM4E
SCHEMBL10164977 0.74 ALDH1A1 (0.51) LMNAALDH1A1SMN1; SMN2FEN1POLB
SCHEMBL15101616 0.72 CHRM1 (0.42) CHRM1NPC1RAB9ALMNAKDM4E
SCHEMBL3805285 0.70 CHRM1 (0.46) CHRM1MAPTBUB1
SCHEMBL617503 0.70 CHRM1 (0.52) CHRM1LMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL1665418 0.69 CHRM1 (0.60) CHRM1NPC1RAB9AJAK2JAK3
SCHEMBL614883 0.69 CHRM1 (0.43) CHRM1CA12CA1CA2CA5A

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 CHRM1 1/4885NPC1 1215/4885RAB9A 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.