SCHEMBL1552045

SCHEMBL1552045

O=c1c(Br)nn(Cc2ccc(F)cc2F)c2cc(Cl)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.45
PDE5A O76074 3/20 0.43
AKR1B1 P15121 2/20 0.43
AKR1A1 P14550 1/20 0.43
PKM P14618 2/20 0.42
PKLR P30613 2/20 0.42
GUCY1A1 Q02108 3/20 0.42
GUCY1B1 Q02153 3/20 0.42
PTGER1 P34995 1/20 0.41
ENPP2 Q13822 1/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.39
MAPK8 P45983 1/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
TRAP1 Q12931 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C8 P10632 1/20 0.38

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
SCHEMBL1051529 0.81 CYP1A2 (0.60) AKR1B1AKR1A1GUCY1A1GUCY1B1PTGER1
SCHEMBL1551071 0.81 PDE5A (0.42) GRM2PDE5AGUCY1A1GUCY1B1NR1H2
SCHEMBL1551078 0.79 PDE5A (0.42) GRM2PDE5AGUCY1A1GUCY1B1NR1H2
SCHEMBL1049751 0.78 CYP1A2 (0.46) AKR1B1AKR1A1GUCY1A1GUCY1B1PTGER1
SCHEMBL1551636 0.78 NR1H2 (0.47) GRM2PDE5AGUCY1A1GUCY1B1NR1H2
SCHEMBL1976849 0.78 PDE5A (0.43) PDE5AGUCY1A1GUCY1B1MAPK8NR1H2
SCHEMBL1552344 0.78 NR1H2 (0.47) PDE5AGUCY1A1GUCY1B1NR1H2NR1H3
SCHEMBL1050802 0.78 PTGER1 (0.46) PDE5AGUCY1A1GUCY1B1PTGER1ENPP2
SCHEMBL1050051 0.77 ENPP2 (0.56) AKR1B1AKR1A1GUCY1A1GUCY1B1PTGER1
SCHEMBL1050050 0.77 ENPP2 (0.56) AKR1B1AKR1A1GUCY1A1GUCY1B1PTGER1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2313376-B1 SUBSTITUTED 1-BENZYL-CINNOLIN-4(1H)-ONE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-12-24 EP disclosed
US-8410099-B2 Substituted 1-benzyl-cinnolin-4(1H)-one derivatives, preparation thereof, and therapeutic use thereof SANOFI (FR) 2013-04-02 US disclosed
US-20110144115-A1 SUBSTITUTED 1-BENZYL-CINNOLIN-4(1H)-ONE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-06-16 US disclosed
EP-2313376-A2 SUBSTITUTED 1-BENZYL-CINNOLIN-4(1H)-ONE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2011-04-27 EP disclosed
WO-2010004215-A2 SUBSTITUTED 1-BENZYL-CINNOLIN-4(1H)-ONE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-01-14 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-20110144115-A1 SUBSTITUTED 1-BENZYL-CINNOLIN-4(1H)-ONE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF CNR1, CNR2, GPR18 GRM2 738/4885PDE5A 3635/4885AKR1B1 2544/4885

“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.