SCHEMBL615038

SCHEMBL615038

Cc1cccc(-n2nc3c4cccnc4n(Cc4ccc(-c5cnn(C)c5)nc4)nc-3c2=O)c1C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.38
FGFR2 P21802 1/20 0.38
FGFR3 P22607 1/20 0.38
MET P08581 8/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
FSCN1 Q16658 1/20 0.36
AURKA O14965 3/20 0.35
AURKB Q96GD4 3/20 0.35
MAPT P10636 1/20 0.34
HDAC1 Q13547 1/20 0.34
KCNJ1 P48048 1/20 0.34
CHRM1 P11229 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34

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
SCHEMBL615854 0.89 L3MBTL1 (0.36) METFSCN1MAPTL3MBTL1
SCHEMBL617119 0.83 FSCN1 (0.41) FSCN1MAPTL3MBTL1
SCHEMBL7906411 0.83 FGFR1 (0.47) FGFR1FGFR2FGFR3METCYP11B1
SCHEMBL615388 0.81 MAPT (0.35) METMAPTL3MBTL1
SCHEMBL15107493 0.79 CHRM1 (0.38) FGFR1FGFR2FGFR3METCYP11B1
SCHEMBL617813 0.78 PIM1 (0.43) METCYP11B1CYP11B2AURKAAURKB
SCHEMBL3713264 0.78 GABRA1 (0.37) FSCN1MAPTCHRM1
SCHEMBL7913305 0.74 GABRA1 (0.41) FSCN1MAPTCHRM1
SCHEMBL14875404 0.74 CHRM1 (0.38) FGFR1FGFR2FGFR3METCYP11B1
SCHEMBL7899041 0.73 FSCN1 (0.34) METFSCN1

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 13 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 claimed
US-8293744-B2 Heterocyclic fused cinnoline M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2012-10-23 US claimed
EP-2421366-A1 HETEROCYCLIC FUSED CINNOLINE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Merck Sharp & Dohme Corp. (US) 2012-02-29 EP claimed
US-20120040978-A1 Heterocyclic Fused Cinnoline M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME CORP. (US) 2012-02-16 US claimed
WO-2010123716-A1 HETEROCYCLIC FUSED CINNOLINE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2010-10-28 WO claimed
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-8293744-B2 Heterocyclic fused cinnoline M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2012-10-23 US 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
US-20120040978-A1 Heterocyclic Fused Cinnoline M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME CORP. (US) 2012-02-16 US 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 FGFR1 1148/4885FGFR2 3404/4885FGFR3 2180/4885

“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.