SCHEMBL1977930

SCHEMBL1977930

O=c1c(-c2cccc(Cl)c2Cl)nn(Cc2ccc(C(F)(F)F)cn2)c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.39
P2RX7 Q99572 4/20 0.37
RORC P51449 2/20 0.37
KCNH2 Q12809 1/20 0.35
SCN5A Q14524 1/20 0.35
AVPR2 P30518 1/20 0.35
AVPR1A P37288 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM3 P20309 1/20 0.35
HPGD P15428 2/20 0.35
PTGER4 P35408 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
FSCN1 Q16658 1/20 0.35
BUB1 O43683 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RECQL P46063 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL1552055 0.85 SCN9A (0.41) SCN9AP2RX7RORCKCNH2SCN5A
SCHEMBL1551575 0.78 RORC (0.39) RORCBUB1MAPT
SCHEMBL1552390 0.74 RORC (0.40) P2RX7RORCAVPR2AVPR1AHPGD
SCHEMBL1552438 0.73 KMT2A (0.48) P2RX7RORCCYP1A2CYP2C9ALDH1A1
SCHEMBL1975925 0.70 BUB1 (0.43) RORCCYP1A2CYP2C9BUB1
SCHEMBL1974882 0.69 NR1H2 (0.44) RORCPTGDR2
SCHEMBL6114026 0.67 PDE2A (0.39) SCN9AP2RX7RORCSCN5ACHRM5
SCHEMBL1976150 0.67 PTGER4 (0.43) RORCPTGER4BUB1PTGDR2
SCHEMBL1552095 0.67 NR1H2 (0.48) P2RX7RORCPTGER4BUB1ALDH1A1
SCHEMBL1551105 0.67 NR1H2 (0.52) P2RX7RORCCYP1A2CYP2C9SMN1; SMN2

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 SCN9A 1645/4885P2RX7 115/4885RORC 425/4885

“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.