SCHEMBL1551091

SCHEMBL1551091

O=c1c(-c2cccc(F)c2C(F)(F)F)nn(Cc2ccc(F)cc2F)c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
AKR1B1 P15121 1/20 0.40
CHRM1 P11229 4/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
RORC P51449 6/20 0.39
NR1H2 P55055 2/20 0.39
NR1H3 Q13133 2/20 0.39
NR1I2 O75469 1/20 0.39
NR3C1 P04150 1/20 0.39
KCNK3 O14649 2/20 0.38
RXRA P19793 1/20 0.37
ACHE P22303 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
SCHEMBL1551078 0.89 PDE5A (0.42) MEN1KMT2ARORCNR1H2NR1H3
SCHEMBL1551075 0.88 MEN1 (0.45) MEN1KMT2AAKR1B1CHRM1PTGDR2
SCHEMBL1551442 0.88 NR1H2 (0.42) MEN1KMT2AAKR1B1CHRM1PTGDR2
SCHEMBL1552123 0.88 MEN1 (0.43) MEN1KMT2AAKR1B1CHRM1PTGDR2
SCHEMBL1976127 0.87 NR1H2 (0.42) MEN1KMT2AAKR1B1CHRM1PTGDR2
SCHEMBL1552306 0.86 KCNK3 (0.41) RORCNR1H2NR1H3KCNK3RXRA
SCHEMBL1552009 0.85 MEN1 (0.43) MEN1KMT2AAKR1B1CHRM1PTGDR2
SCHEMBL1974882 0.85 NR1H2 (0.44) MEN1KMT2AAKR1B1CHRM1PTGDR2
SCHEMBL1552307 0.85 CYP2C19 (0.41) MEN1KMT2ACHRM1RORCNR1H2
SCHEMBL1551015 0.84 MEN1 (0.40) MEN1KMT2AAKR1B1CHRM1PTGDR2

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 MEN1 1043/4885KMT2A 3950/4885AKR1B1 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.