SCHEMBL1551084

SCHEMBL1551084

COc1ccc(C(C)C)cc1-c1nn(Cc2ccc(F)cc2F)c2ccccc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
BUB1 O43683 11/20 0.41
RORC P51449 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.38
KCNK3 O14649 1/20 0.37
AKR1B1 P15121 1/20 0.37
CHRM1 P11229 1/20 0.37
TACR1 P25103 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
SCHEMBL1551455 0.92 MEN1 (0.47) MEN1KMT2ABUB1RORCPTGDR2
SCHEMBL1551039 0.89 MEN1 (0.45) MEN1KMT2ABUB1RORCPTGDR2
SCHEMBL1551439 0.86 CHRM1 (0.46) MEN1KMT2ABUB1RORCPTGDR2
SCHEMBL1552290 0.86 RORC (0.46) MEN1KMT2ABUB1RORCPTGDR2
SCHEMBL1551613 0.86 RORC (0.48) MEN1KMT2ABUB1RORCCHRM1
SCHEMBL1551844 0.86 MEN1 (0.42) MEN1KMT2ABUB1RORCPTGDR2
SCHEMBL1552066 0.85 MEN1 (0.43) MEN1KMT2ABUB1RORCCHRM1
SCHEMBL1977509 0.84 BUB1 (0.45) MEN1KMT2ABUB1RORCPTGDR2
SCHEMBL1977751 0.82 MEN1 (0.53) MEN1KMT2ABUB1RORC
SCHEMBL1977368 0.82 KCNK3 (0.42) MEN1KMT2APTGDR2KCNK3AKR1B1

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 11 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
JP-2011527323-A 2011-10-27 JP 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-A2 SUBSTITUTED 1-BENZYL-CINNOLIN-4(1H)-ONE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2011-04-27 EP claimed
WO-2010004215-A2 SUBSTITUTED 1-BENZYL-CINNOLIN-4(1H)-ONE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-01-14 WO 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 3950/4885BUB1 2216/4885

“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.