SCHEMBL3055446

SCHEMBL3055446

O=c1[nH]ncc(-c2ccccc2)c1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.52
AKT2 P31751 1/20 0.52
LMNA P02545 1/20 0.52
RPS6KA3 P51812 3/20 0.46
AURKA O14965 1/20 0.46
CDK1 P06493 1/20 0.46
LYN P07948 1/20 0.46
PIM1 P11309 1/20 0.46
FGFR1 P11362 1/20 0.46
PRKACA P17612 1/20 0.46
RPS6KB1 P23443 1/20 0.46
CDK2 P24941 1/20 0.46
MARK3 P27448 1/20 0.46
GSK3B P49841 1/20 0.46
PRKCZ Q05513 1/20 0.46
PRKCD Q05655 1/20 0.46
ERBB4 Q15303 1/20 0.46
CDC42BPA Q5VT25 1/20 0.46
MARK2 Q7KZI7 1/20 0.46
AKT3 Q9Y243 1/20 0.46

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
SCHEMBL8212288 0.79 AKT1 (0.53) AKT1AKT2LMNARPS6KA3AURKA
SCHEMBL10981794 0.78 AKT1 (0.52) AKT1AKT2LMNARPS6KA3AURKA
SCHEMBL15579660 0.78 RPS6KA3 (0.53) AKT1AKT2LMNARPS6KA3AURKA
SCHEMBL6121715 0.75 AKT1 (0.49) AKT1AKT2LMNARPS6KA3AURKA
SCHEMBL8220603 0.75 ALDH1A1 (0.53) LMNATRPC5TGFBR1ALDH1A1PARP1
SCHEMBL1227994 0.74 ATM (0.54) AKT1AKT2LMNARPS6KA3AURKA
SCHEMBL918364 0.71 SCN4A (0.52) AKT1AKT2LMNARPS6KA3AURKA
SCHEMBL5248907 0.70 RPS6KA3 (0.81) AKT1AKT2LMNARPS6KA3AURKA
SCHEMBL6121405 0.69 GABRA1 (0.56) AKT1AKT2LMNAFGFR1PRKCZ
Hydrochloric Acid SCHEMBL30014721 0.69 SCN4A (0.50) AKT1AKT2LMNARPS6KA3AURKA

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
US-7718612-B2 Pyridazinonyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2010-05-18 US disclosed
US-7718612-B2 Pyridazinonyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2010-05-18 US disclosed
US-7718612-B2 Pyridazinonyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2010-05-18 US disclosed
US-20090035272-A1 Pyridazinonyl Macrocyclic Hepatitis C Serine Protease Inhibitors ENANTA PHARMACEUTICALS, INC. 2009-02-05 US disclosed
US-20090035272-A1 Pyridazinonyl Macrocyclic Hepatitis C Serine Protease Inhibitors ENANTA PHARMACEUTICALS, INC. 2009-02-05 US disclosed
US-20090035272-A1 Pyridazinonyl Macrocyclic Hepatitis C Serine Protease Inhibitors ENANTA PHARMACEUTICALS, INC. 2009-02-05 US disclosed
WO-2008019303-A2 PYRIDAZINONYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2008-02-14 WO disclosed
WO-2008019303-A2 PYRIDAZINONYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2008-02-14 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-20090035272-A1 Pyridazinonyl Macrocyclic Hepatitis C Serine Protease Inhibitors PRSS1, SPINT2, TMPRSS4 AKT1 1660/4885AKT2 1857/4885LMNA 2155/4885

“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.