SCHEMBL1551047

SCHEMBL1551047

O=c1c(-c2cc(F)cc(C(F)(F)F)c2)nn(Cc2ccc(F)cc2F)c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 5/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.41
AKR1B1 P15121 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RORC P51449 1/20 0.38
NR1H2 P55055 4/20 0.37
NR1H3 Q13133 4/20 0.37
RXRA P19793 2/20 0.37
NR1I2 O75469 2/20 0.37
NR3C1 P04150 2/20 0.37
PTGER4 P35408 1/20 0.36
TP53 P04637 1/20 0.36
CHRM1 P11229 3/20 0.36
AR P10275 1/20 0.35

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
SCHEMBL1973249 0.91 MEN1 (0.41) KCNK3PTGDR2AKR1B1MEN1KMT2A
SCHEMBL1973446 0.90 ALDH1A1 (0.43) KCNK3PTGDR2AKR1B1MEN1KMT2A
SCHEMBL1551046 0.85 KCNK3 (0.49) KCNK3PTGDR2AKR1B1MEN1KMT2A
SCHEMBL1552277 0.85 AKR1B1 (0.48) KCNK3PTGDR2AKR1B1MEN1KMT2A
SCHEMBL1975556 0.84 LMNA (0.45) PTGDR2AKR1B1MEN1KMT2ARORC
SCHEMBL1552371 0.83 MEN1 (0.46) KCNK3PTGDR2AKR1B1MEN1KMT2A
SCHEMBL1551442 0.82 NR1H2 (0.42) KCNK3PTGDR2AKR1B1MEN1KMT2A
SCHEMBL1551671 0.81 CHRM1 (0.46) KCNK3PTGDR2AKR1B1MEN1KMT2A
SCHEMBL1552153 0.81 MEN1 (0.46) KCNK3PTGDR2AKR1B1MEN1KMT2A
SCHEMBL1552084 0.81 KCNK3 (0.45) KCNK3PTGDR2AKR1B1MEN1KMT2A

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 2155/4885PTGDR2 422/4885AKR1B1 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.