SCHEMBL1551002

SCHEMBL1551002

O=c1c(-c2cccc(OC(F)(F)F)c2)nn(Cc2ccc(F)cc2F)c2cc(Cl)ccc12

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 4/20 0.53
NR1H2 P55055 2/20 0.40
NR1H3 Q13133 2/20 0.40
RORC P51449 2/20 0.40
GUCY1A1 Q02108 4/20 0.39
GUCY1B1 Q02153 4/20 0.39
PDE5A O76074 1/20 0.39
F2RL3 Q96RI0 2/20 0.37
SLC16A3 O15427 1/20 0.37
SLC16A1 P53985 1/20 0.37
MCTS1 Q9ULC4 1/20 0.37
PIK3CD O00329 1/20 0.37
GRIN1 Q05586 2/20 0.37
GRIN2B Q13224 2/20 0.37
CHRM5 P08912 1/20 0.36

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
SCHEMBL1551441 0.89 KCNK3 (0.55) KCNK3NR1H2NR1H3RORCF2RL3
SCHEMBL1552143 0.89 KCNK3 (0.54) KCNK3NR1H2NR1H3RORCF2RL3
SCHEMBL1552179 0.81 KCNK3 (0.55) KCNK3NR1H2NR1H3F2RL3GRIN1
SCHEMBL1552084 0.80 KCNK3 (0.45) KCNK3NR1H2NR1H3RORCF2RL3
SCHEMBL1551078 0.79 PDE5A (0.42) NR1H2NR1H3RORCGUCY1A1GUCY1B1
SCHEMBL593413 0.79 PIK3CD (0.39) KCNK3PDE5ASLC16A3SLC16A1MCTS1
SCHEMBL1551636 0.79 NR1H2 (0.47) NR1H2NR1H3RORCGUCY1A1GUCY1B1
SCHEMBL1552344 0.79 NR1H2 (0.47) NR1H2NR1H3RORCGUCY1A1GUCY1B1
SCHEMBL1551044 0.78 RORC (0.45) KCNK3RORCF2RL3CHRM5
SCHEMBL1551071 0.78 PDE5A (0.42) NR1H2NR1H3RORCGUCY1A1GUCY1B1

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 8 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 claimed
US-8410099-B2 Substituted 1-benzyl-cinnolin-4(1H)-one derivatives, preparation thereof, and therapeutic use thereof SANOFI (FR) 2013-04-02 US claimed
US-20110144115-A1 SUBSTITUTED 1-BENZYL-CINNOLIN-4(1H)-ONE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-06-16 US claimed
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 KCNK3 2155/4885NR1H2 535/4885NR1H3 458/4885

“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.