SCHEMBL1980264

SCHEMBL1980264

N#Cc1ccc(Cn2nc(-c3cccc(C(F)(F)F)c3Cl)c(=O)c3ccccc32)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BUB1 O43683 3/20 0.41
▸ NR1H2 P55055 3/20 0.41
▸ NR1H3 Q13133 3/20 0.41
▸ RORC P51449 11/20 0.40
▸ AKR1B1 P15121 1/20 0.36
▸ CHRM1 P11229 1/20 0.35
▸ NR1I2 O75469 1/20 0.35
▸ NR3C1 P04150 1/20 0.35
▸ AR P10275 1/20 0.35
▸ RXRA P19793 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 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
SCHEMBL1976351 0.92 BUB1 (0.43) BUB1NR1H2NR1H3RORCAKR1B1
SCHEMBL1976917 0.91 BUB1 (0.42) BUB1NR1H2NR1H3RORCAKR1B1
SCHEMBL1975925 0.89 BUB1 (0.43) BUB1RORCAKR1B1CHRM1MEN1
SCHEMBL1974882 0.88 NR1H2 (0.44) NR1H2NR1H3RORCAKR1B1CHRM1
SCHEMBL1552322 0.81 NR1H2 (0.53) NR1H2NR1H3RORCAKR1B1CHRM1
SCHEMBL1551471 0.80 NR1H2 (0.47) NR1H2NR1H3RORCNR1I2NR3C1
SCHEMBL1552344 0.80 NR1H2 (0.47) NR1H2NR1H3RORCNR1I2NR3C1
SCHEMBL1551442 0.80 NR1H2 (0.42) NR1H2NR1H3RORCAKR1B1CHRM1
SCHEMBL1976127 0.79 NR1H2 (0.42) NR1H2NR1H3RORCAKR1B1CHRM1
SCHEMBL1976150 0.78 PTGER4 (0.43) BUB1NR1H2NR1H3RORCAKR1B1

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 6 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

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 2216/4885NR1H2 535/4885NR1H3 458/4885

“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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