SCHEMBL615063

SCHEMBL615063

Cc1ccc(-c2ccc(Cn3nc4c(=O)[nH]nc-4c4cccnc43)cn2)cn1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
PRMT5 O14744 3/20 0.36
WDR77 Q9BQA1 3/20 0.36
PIM1 P11309 1/20 0.35
MAPK1 P28482 1/20 0.35
PDE5A O76074 3/20 0.35
MET P08581 1/20 0.34
CYP11B1 P15538 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CYP11B2 P19099 1/20 0.33
THRB P10828 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33

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
SCHEMBL617813 0.86 PIM1 (0.43) PIM1MAPK1METCYP11B1CYP11B2
SCHEMBL614851 0.84 L3MBTL1 (0.39) L3MBTL1PDE5ACYP11B1ROCK2ROCK1
SCHEMBL615854 0.78 L3MBTL1 (0.36) L3MBTL1PDE5AMETRXFP1THRB
SCHEMBL10165009 0.76 CHRM1 (0.41) L3MBTL1RXFP1
SCHEMBL615419 0.76 CHRM1 (0.41) L3MBTL1RXFP1
SCHEMBL615418 0.76 CHRM1 (0.41) L3MBTL1RXFP1
SCHEMBL24205908 0.76 L3MBTL1 (0.44) L3MBTL1PDE5AMETRXFP1THRB
SCHEMBL614950 0.74 EGFR (0.35) L3MBTL1MAPK1
SCHEMBL14875371 0.68 PDE4A (0.38) L3MBTL1MAPK1PDE5APDE4APDE4B
SCHEMBL20140411 0.67 L3MBTL1 (0.46) L3MBTL1PDE5A

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 L3MBTL1 3385/4885PRMT5 1298/4885WDR77 517/4885

“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.