SCHEMBL1551441

SCHEMBL1551441

O=c1c(-c2cccc(OC(F)(F)F)c2)nn(Cc2ccc(F)cc2F)c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 5/20 0.55
RORC P51449 2/20 0.42
CHRM5 P08912 1/20 0.40
F2RL3 Q96RI0 2/20 0.39
AKR1B1 P15121 1/20 0.39
GRIN1 Q05586 2/20 0.39
GRIN2B Q13224 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
SLC16A3 O15427 1/20 0.38
SLC16A1 P53985 1/20 0.38
MCTS1 Q9ULC4 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
RXRA P19793 1/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
RIPK3 Q9Y572 1/20 0.37
HDAC1 Q13547 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
SCHEMBL1552084 0.90 KCNK3 (0.45) KCNK3RORCCHRM5F2RL3AKR1B1
SCHEMBL1551002 0.89 KCNK3 (0.53) KCNK3RORCCHRM5F2RL3GRIN1
SCHEMBL1552143 0.88 KCNK3 (0.54) KCNK3RORCCHRM5F2RL3GRIN1
SCHEMBL1551046 0.87 KCNK3 (0.49) KCNK3RORCAKR1B1PTGDR2MEN1
SCHEMBL1551044 0.87 RORC (0.45) KCNK3RORCCHRM5F2RL3AKR1B1
SCHEMBL1552179 0.86 KCNK3 (0.55) KCNK3CHRM5F2RL3GRIN1GRIN2B
SCHEMBL1973446 0.85 ALDH1A1 (0.43) KCNK3RORCAKR1B1GRIN1GRIN2B
SCHEMBL1552277 0.85 AKR1B1 (0.48) KCNK3RORCAKR1B1PTGDR2MEN1
SCHEMBL1552097 0.83 MEN1 (0.41) KCNK3RORCAKR1B1PTGDR2MEN1
SCHEMBL1551045 0.82 AKR1B1 (0.42) KCNK3AKR1B1PTGDR2MEN1KMT2A

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 2155/4885RORC 425/4885CHRM5 1869/4885

“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.