SCHEMBL3807752

SCHEMBL3807752

O=c1c2nn(Cc3ccc(-c4cscn4)cc3)c3ccccc3c-2nn1-c1ccccc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.38
CHRM1 P11229 1/20 0.37
ALDH1A1 P00352 4/20 0.36
CYP1A2 P05177 3/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2C9 P11712 3/20 0.36
CYP2C19 P33261 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
F2RL3 Q96RI0 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
ADORA1 P30542 4/20 0.35
LMNA P02545 2/20 0.34
CYP2D6 P10635 2/20 0.34
HTT P42858 1/20 0.34
BUB1 O43683 2/20 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
SCHEMBL7911531 0.81 CHRM1 (0.42) CHRM1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL7907818 0.79 PDE5A (0.34) CHRM1ALDH1A1CYP1A2F2RL3PDE4A
SCHEMBL7900281 0.77 FSCN1 (0.34) CHRM1CYP1A2F2RL3PDE4APDE4B
SCHEMBL7901657 0.76 BUB1 (0.33) CHRM1F2RL3BUB1PDE5A
SCHEMBL15107492 0.76 BUB1 (0.33) CHRM1CYP1A2F2RL3ADORA1CYP2D6
SCHEMBL7900360 0.76 CHRM1 (0.51) CHRM1PDE4APDE4BPDE4CPDE4D
SCHEMBL15996888 0.75 F2RL3 (0.33) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7908122 0.75 MCHR1 (0.42) SCN9ACHRM1ALDH1A1CYP1A2CYP3A4
SCHEMBL16501513 0.75 CCNT1 (0.34) CHRM1F2RL3PDE4APDE4BPDE4C
SCHEMBL3708584 0.71 F2RL3 (0.41) CHRM1ALDH1A1CYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 SCN9A 957/4885CHRM1 1/4885ALDH1A1 2493/4885
US-20130102599-A1 PYRAZOLO [4,3-C] CINNOLIN-3-ONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, CNR1, MTNR1A SCN9A 957/4885CHRM1 1/4885ALDH1A1 2493/4885

“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.