SCHEMBL3713264

SCHEMBL3713264

Cc1ccc(-c2ccc(Cn3nc4c(=O)n(-c5cccc(C)c5C)nc-4c4ccccc43)cn2)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.37
GABRA5 P31644 1/20 0.37
F2RL3 Q96RI0 1/20 0.36
FSCN1 Q16658 1/20 0.35
GRM2 Q14416 1/20 0.34
CHRM1 P11229 3/20 0.34
PDE5A O76074 1/20 0.34
POLB P06746 1/20 0.33
CSF1R P07333 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CCNT1 O60563 2/20 0.33
CDK1 P06493 2/20 0.33
CCNB1 P14635 2/20 0.33
CDK9 P50750 2/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
PTGS2 P35354 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32

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
SCHEMBL7913305 0.94 GABRA1 (0.41) GABRA1GABRA5F2RL3FSCN1CHRM1
SCHEMBL615854 0.89 L3MBTL1 (0.36) GABRA1GABRA5FSCN1PDE5APDE4A
SCHEMBL14875518 0.87 GRM2 (0.39) F2RL3FSCN1GRM2CHRM1PDE5A
SCHEMBL3708584 0.86 F2RL3 (0.41) GABRA1GABRA5F2RL3FSCN1CHRM1
SCHEMBL7900281 0.85 FSCN1 (0.34) F2RL3FSCN1CHRM1PDE5APOLB
SCHEMBL7899041 0.83 FSCN1 (0.34) GABRA1GABRA5FSCN1GRIN1GRIN2B
SCHEMBL7906411 0.81 FGFR1 (0.47) F2RL3CHRM1
SCHEMBL3779687 0.80 GRM2 (0.39) F2RL3FSCN1GRM2CHRM1PDE5A
SCHEMBL7901453 0.79 CHRM1 (0.42) F2RL3FSCN1CHRM1PDE5APOLB
SCHEMBL7907818 0.78 PDE5A (0.34) F2RL3FSCN1CHRM1PDE5APOLB

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653079-B2 Pyrazolo [4,3-C] cinnolin-3-one M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2014-02-18 US claimed
US-20130102599-A1 PYRAZOLO [4,3-C] CINNOLIN-3-ONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2013-04-25 US claimed
US-20110301167-A1 PYRAZOLO [4,3-c] CINNOLIN-3-ONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2011-12-08 US claimed
EP-2398324-B1 PYRAZOLO [4,3-c]CINNOLIN-3-ONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2014-09-03 EP disclosed
EP-2398324-B1 PYRAZOLO [4,3-c]CINNOLIN-3-ONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2014-09-03 EP disclosed
US-8653079-B2 Pyrazolo [4,3-C] cinnolin-3-one M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2014-02-18 US disclosed
US-8653079-B2 Pyrazolo [4,3-C] cinnolin-3-one M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2014-02-18 US disclosed
US-8653079-B2 Pyrazolo [4,3-C] cinnolin-3-one M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2014-02-18 US disclosed
US-8486946-B2 Pyrazolo [4,3-c] cinnolin-3-one M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2013-07-16 US disclosed
US-8486946-B2 Pyrazolo [4,3-c] cinnolin-3-one M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2013-07-16 US disclosed
US-8486946-B2 Pyrazolo [4,3-c] cinnolin-3-one M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2013-07-16 US disclosed
US-20130102599-A1 PYRAZOLO [4,3-C] CINNOLIN-3-ONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2013-04-25 US disclosed
US-20130102599-A1 PYRAZOLO [4,3-C] CINNOLIN-3-ONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2013-04-25 US disclosed
US-20130102599-A1 PYRAZOLO [4,3-C] CINNOLIN-3-ONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2013-04-25 US disclosed
EP-2398324-A1 PYRAZOLO [4,3-c]CINNOLIN-3-ONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Merck Sharp & Dohme Corp. (US) 2011-12-28 EP disclosed
US-20110301167-A1 PYRAZOLO [4,3-c] CINNOLIN-3-ONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2011-12-08 US disclosed
US-20110301167-A1 PYRAZOLO [4,3-c] CINNOLIN-3-ONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2011-12-08 US disclosed
US-20110301167-A1 PYRAZOLO [4,3-c] CINNOLIN-3-ONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2011-12-08 US disclosed
WO-2010096338-A1 PYRAZOLO [4,3-c] CINNOLIN-3-ONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2010-08-26 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 (2 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-20110301167-A1 PYRAZOLO [4,3-c] CINNOLIN-3-ONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, CNR1, MTNR1A GABRA1 564/4885GABRA5 532/4885F2RL3 396/4885
US-20130102599-A1 PYRAZOLO [4,3-C] CINNOLIN-3-ONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, CNR1, MTNR1A GABRA1 564/4885GABRA5 532/4885F2RL3 396/4885

“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.