SCHEMBL1551001

SCHEMBL1551001

O=c1c(Br)n[nH]c2cc(Cl)ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 3/20 0.48
DAO P14920 1/20 0.46
GSK3B P49841 2/20 0.44
ALDH1A1 P00352 1/20 0.44
PARP1 P09874 1/20 0.43
TRPA1 O75762 1/20 0.43
CHEK1 O14757 1/20 0.43
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
PDPK1 O15530 1/20 0.41
JAK2 O60674 1/20 0.41
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40

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
SCHEMBL15529807 0.87 GSK3B (0.48) MAP2K4DAOGSK3BALDH1A1PARP1
SCHEMBL30548014 0.87 GSK3B (0.48) MAP2K4DAOGSK3BALDH1A1PARP1
SCHEMBL11147948 0.78 GRIN2D (0.39) DAOGSK3BALDH1A1SMN1; SMN2LMNA
SCHEMBL11777519 0.76 GSK3B (0.43) MAP2K4DAOGSK3BALDH1A1PARP1
SCHEMBL15332567 0.76 FADS1 (0.49) GSK3BCHEK1LMNAPDPK1JAK2
SCHEMBL30548017 0.76 FADS1 (0.49) GSK3BCHEK1LMNAPDPK1JAK2
SCHEMBL25430355 0.75 LMNA (0.46) DAOALDH1A1PARP1CHEK1LMNA
SCHEMBL29348065 0.75 PARP1 (0.47) DAOALDH1A1PARP1CHEK1LMNA
SCHEMBL3593032 0.75 MAP2K4 (0.50) MAP2K4DAOGSK3BALDH1A1PARP1
SCHEMBL14738828 0.75 MAP2K4 (0.63) MAP2K4DAOGSK3BALDH1A1TRPA1

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 disclosed
EP-2417111-B1 SUBSTITUTED 1-ALKYLCINNOLIN-4(1H)-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION OF SAME SANOFI SA (FR) 2014-06-04 EP disclosed
US-8420651-B2 Substituted 1-alkylcinnolin-4(1H)-one derivatives, preparation thereof and therapeutic application of same SANOFI (FR) 2013-04-16 US 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-20120129864-A1 SUBSTITUTED 1-ALKYLCINNOLIN-4(1H)-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION OF SAME SANOFI (FR) 2012-05-24 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 (2 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-20120129864-A1 SUBSTITUTED 1-ALKYLCINNOLIN-4(1H)-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION OF SAME ALK, CBR1, CBR3 MAP2K4 2389/4885DAO 1150/4885GSK3B 3310/4885
US-20110144115-A1 SUBSTITUTED 1-BENZYL-CINNOLIN-4(1H)-ONE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF CNR1, CNR2, GPR18 MAP2K4 3367/4885DAO 3558/4885GSK3B 1440/4885

“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.