SCHEMBL1976351

SCHEMBL1976351

N#Cc1ccc(Cn2nc(-c3ccccc3C(F)(F)F)c(=O)c3ccccc32)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BUB1 O43683 6/20 0.43
▸ RORC P51449 4/20 0.39
▸ AKR1B1 P15121 1/20 0.39
▸ NR1H2 P55055 2/20 0.38
▸ NR1H3 Q13133 2/20 0.38
▸ SLC2A1 P11166 1/20 0.37
▸ SLC2A3 P11169 1/20 0.37
▸ SLC2A4 P14672 1/20 0.37
▸ CHRM1 P11229 2/20 0.36
▸ ACP1 P24666 1/20 0.36
▸ NR1I2 O75469 1/20 0.35
▸ NR3C1 P04150 1/20 0.35
▸ USP1 O94782 1/20 0.35
▸ WDR48 Q8TAF3 1/20 0.35
▸ KCNK3 O14649 2/20 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
SCHEMBL1976917 0.94 BUB1 (0.42) BUB1RORCAKR1B1NR1H2NR1H3
SCHEMBL1980264 0.92 BUB1 (0.41) BUB1RORCAKR1B1NR1H2NR1H3
SCHEMBL1551442 0.87 NR1H2 (0.42) RORCAKR1B1NR1H2NR1H3CHRM1
SCHEMBL1975925 0.84 BUB1 (0.43) BUB1RORCAKR1B1CHRM1KCNK3
SCHEMBL1976127 0.81 NR1H2 (0.42) RORCAKR1B1NR1H2NR1H3CHRM1
SCHEMBL1976150 0.80 PTGER4 (0.43) BUB1RORCAKR1B1NR1H2NR1H3
SCHEMBL1552131 0.79 CHRM1 (0.46) RORCAKR1B1NR1H2NR1H3CHRM1
SCHEMBL1974882 0.79 NR1H2 (0.44) RORCAKR1B1NR1H2NR1H3CHRM1
SCHEMBL1552322 0.79 NR1H2 (0.53) RORCAKR1B1NR1H2NR1H3CHRM1
SCHEMBL1551449 0.78 NR1H2 (0.47) BUB1RORCNR1H2NR1H3CHRM1

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 7 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
WO-2011070592-A2 NOVEL SUGAR DERIVATIVES PANACEA BIOTEC LTD. (IN) 2011-06-16 — — 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 BUB1 2216/4885RORC 425/4885AKR1B1 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.

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